SCHEMBL7444355

SCHEMBL7444355

COc1cc2c(cc1OC)C(c1ccccc1Cl)=NN=C(C)C2

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
NPSR1 Q6W5P4 4/20 0.55
HTT P42858 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 1/20 0.46
RAD52 P43351 1/20 0.46
PDE10A Q9Y233 1/20 0.46
MAPK10 P53779 8/20 0.45
MAPK14 Q16539 2/20 0.44
PDGFRB P09619 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
EIF2AK1 Q9BQI3 2/20 0.42
MAPK9 P45984 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
Hydrochloric Acid SCHEMBL7433736 0.99 MAPT (0.54) MAPTNPSR1HTTLMNASMN1; SMN2
SCHEMBL7442033 0.89 PKM (0.45) MAPTNPSR1HTTLMNASMN1; SMN2
SCHEMBL7410841 0.87 MAPT (0.43) MAPTNPSR1HTTLMNASMN1; SMN2
SCHEMBL10886665 0.85 PKM (0.61) MAPTNPSR1HTTLMNASMN1; SMN2
SCHEMBL9429649 0.85 CCNE2 (0.42) MAPTNPSR1HTTLMNASMN1; SMN2
SCHEMBL10886129 0.85 CYP1A2 (0.45) MAPTNPSR1HTTLMNASMN1; SMN2
SCHEMBL7410880 0.83 PDGFRB (0.49) MAPTNPSR1HTTLMNASMN1; SMN2
SCHEMBL10887865 0.83 CYP1A2 (0.46) MAPTNPSR1HTTLMNASMN1; SMN2
SCHEMBL7439770 0.81 MAPT (0.47) MAPTNPSR1HTTLMNASMN1; SMN2
Girisopam SCHEMBL637118 0.81 MAPK10 (0.62) MAPTNPSR1HTTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5288863-A Cyclization; reacting hydrazine with an acetonyl-, chloro-, dimethoxybenzophenone EGIS GYOGYSZERGYAR RT. (HU) 1994-02-22 US disclosed
US-4322346-A 5H-2,3-Benzodiazepine derivatives KOROSI JENO 1982-03-30 US disclosed