SCHEMBL11546992

SCHEMBL11546992

CCOC(=O)C(C#N)C(=O)CC=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.46
CTSC P53634 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MAOB P27338 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
PPARG P37231 1/20 0.40
MAOA P21397 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28305795 0.78 CTSC (0.51) PAMCTSCMEN1KMT2ACTDSP1
SCHEMBL10891880 0.77 PAM (0.61) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL10891882 0.77 PAM (0.61) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL28200879 0.76 SMN1; SMN2 (0.48) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL11549362 0.75 PAM (0.45) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL7654904 0.73 MEN1 (0.50) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL7654911 0.73 MEN1 (0.50) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL12997993 0.73 MEN1 (0.51) MEN1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL4875949 0.73 MEN1 (0.58) PAMMEN1KMT2ACTDSP1ALDH1A1
SCHEMBL4875955 0.73 MEN1 (0.58) PAMMEN1KMT2ACTDSP1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4136187-A CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DE) 1979-01-23 US disclosed
US-4053614-A 1,2-PENTAMETHYLENE-1,4-DIHYDROPYRIDINE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DT) 1977-10-11 US disclosed
US-4024261-A HYPERTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4022898-A ANTIHYPERTENSIVE AGENTS, VASODILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-10 US disclosed
US-4004015-A Bicyclic derivatives of 1,4-dihydropyridine as antihypertensive agents and coronary vessel dilators BAYER AKTIENGESELLSCHAFT (DT) 1977-01-18 US disclosed
US-4001235-A HYPOTENSIVES, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-4001258-A HYPOTENSIVES, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-04 US disclosed
US-3971791-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3971790-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US disclosed
US-3959292-A HYPOTENSIVE AGENTS, CORONARY DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3951994-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951988-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3948923-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed
US-3946026-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3939171-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3935223-A 2-Amino-1,4-dihydropyridine derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed
US-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed