SCHEMBL11040696

SCHEMBL11040696

C=CCN(CC=C)c1ccc(-c2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 1/20 0.42
CHKA P35790 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
SLC6A2 P23975 1/20 0.38
NOTUM Q6P988 1/20 0.37
KIF11 P52732 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM5 P08912 1/20 0.35
QDPR P09417 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL418658 0.88 CHKA (0.46) MAPTSMN1; SMN2LMNACHKAKDM4E
SCHEMBL6692403 0.88 CHKA (0.46) MAPTSMN1; SMN2LMNACHKAALDH1A1
SCHEMBL851567 0.81 CHKA (0.50) SMN1; SMN2CHKAALDH1A1ALOX15CYP3A4
SCHEMBL9811796 0.80 ALDH1A1 (0.43) MAPTSMN1; SMN2LMNACHKAALDH1A1
SCHEMBL11784122 0.78 KIF11 (0.44) SMN1; SMN2LMNACHKAKIF11NISCH
SCHEMBL11489506 0.76 CYP2C19 (0.44) MAPTSMN1; SMN2CHKAKDM4EALDH1A1
SCHEMBL7162904 0.74 CHKA (0.46) MAPTSMN1; SMN2CHKAKDM4EALDH1A1
SCHEMBL6466250 0.74 CHKA (0.46) MAPTSMN1; SMN2CHKAKDM4EALDH1A1
SCHEMBL11051958 0.74 CHKA (0.37) CHKA
SCHEMBL9811813 0.74 APP (0.49) MAPTSMN1; SMN2CHKAKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4540790-A COLORFORMERS INC PRESSURE SENSITIVE CARBONLESS DUPLICATION THE HILTON-DAVIS CHEMICAL CO. (US) 1985-09-10 US disclosed
EP-0061128-B1 PYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND SYSTEMS CONTAINING THEM STERLING DRUG INC. (US) 1985-09-04 EP disclosed
US-4446321-A COLOR FORMERS, CARBON-FREE DUPLICATION STERLING DRUG INC. (US) 1984-05-01 US disclosed
US-4396767-A COLORS, CARBONLESS DUPLICATION STERLING DRUG INC. (US) 1983-08-02 US disclosed
US-4363503-A FOR PRESSURE SENSITIVE CARBONLESS DUPLICATING AND THERMAL MARKING SYSTEMS STERLING DRUG INC. (US) 1982-12-14 US disclosed
EP-0061128-A1 Pyridine compounds, process for their preparation and systems containing them STERLING DRUG INC. (US) 1982-09-29 EP disclosed