SCHEMBL9730569

SCHEMBL9730569

CCC(=O)c1ccc(N)c(SC#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 7/20 0.45
POLB P06746 2/20 0.45
GFER P55789 1/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PGR P06401 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 2/20 0.35
HPGD P15428 2/20 0.35
USP2 O75604 1/20 0.35
USP8 P40818 1/20 0.35
USP5 P45974 1/20 0.35
USP4 Q13107 1/20 0.35
USP7 Q93009 1/20 0.35

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
SCHEMBL4681611 0.81 LMNA (0.50) MAPTALDH1A1POLB
SCHEMBL5069162 0.81 LMNA (0.47) MAPTALDH1A1POLBGFERMEN1
SCHEMBL13974083 0.76 PGR (0.42) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL10740176 0.75 ATM (0.49) MAPTALDH1A1GFERATMMEN1
SCHEMBL28381250 0.72 ATM (0.46) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL11884043 0.72 ALDH1A1 (0.53) MAPTALDH1A1GFERATMMEN1
SCHEMBL7343180 0.72 HPGD (0.49) MAPTALDH1A1POLBATMMEN1
SCHEMBL13623664 0.72 ATM (0.46) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL9538792 0.71 MAPT (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9657091 0.70 ALDH1A1 (0.49) MAPTALDH1A1POLBATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5081242-A Cardiotonic and bronchodilator agents; phosphodiesterase inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1992-01-14 US disclosed
US-4766118-A CARDIOTONIC AGENTS, PHOSPHODIESTERASE INHIBITORS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-08-23 US disclosed
EP-0272914-A2 6-Benzoxazinyl- and 6-benzothiazinyl-2,3,4,5-tetrahydropyridazin-3-ones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-29 EP disclosed