SCHEMBL9682993

SCHEMBL9682993

CSc1ccc(CNc2ccc(F)cc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
CYP2D6 P10635 1/20 0.46
RECQL P46063 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KCNQ3 O43525 2/20 0.43
KCNQ2 O43526 2/20 0.43

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
SCHEMBL9683493 0.82 MEN1 (0.59) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9681871 0.80 MAPT (0.43) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9681343 0.80 HDAC3 (0.44) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9683331 0.79 MAP2K4 (0.52) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL12658350 0.77 SHMT2 (0.48) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL9681404 0.77 MAPT (0.56) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11935975 0.76 SHMT2 (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL22384733 0.75 HDAC1 (0.64) MEN1KMT2ASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9683458 0.75 SSTR3 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL5923871 0.74 MEN1 (0.72) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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-5128359-A Benzimidazole and azabenzimidazole derivatives which are thromboxane receptor antagonists, their methods of preparation LABORATOIRES UPSA (FR) 1992-07-07 US disclosed
US-5124336-A Cardiovascular disorders LABORATOIRES UPSA (FR) 1992-06-23 US disclosed