SCHEMBL6312665

SCHEMBL6312665

COc1ccc(C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
HPGD P15428 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
MAOA P21397 1/20 0.56
PTGS2 P35354 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.46
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 7/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.45
ATM Q13315 1/20 0.45
LMNA P02545 1/20 0.44
SOAT1 P35610 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL3498051 0.82 ALDH1A1 (0.50) MAPTHPGDTP53MAOARAB9A
SCHEMBL20997312 0.81 MAPT (0.51) MAPTRAB9APOLBHSD11B1ALDH1A1
SCHEMBL4916675 0.81 KMT2A (0.53) MAPTHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL15131565 0.80 MAPT (0.57) MAPTHPGDNPC1TP53MAOA
SCHEMBL8495439 0.73 ATM (0.51) MAPTHPGDNPC1TP53MAOA
SCHEMBL8495437 0.73 ATM (0.51) MAPTHPGDNPC1TP53MAOA
SCHEMBL4909796 0.73 CYP3A4 (0.71) MAPTHPGDTP53RAB9APOLB
SCHEMBL9407829 0.72 SMN1; SMN2 (0.77) MAPTRAB9ASMN1; SMN2HSD11B1ALDH1A1
Anisindione SCHEMBL29688105 0.72 RAB9A (1.00) MAPTHPGDNPC1TP53MAOA
Anisindione SCHEMBL49379 0.72 RAB9A (1.00) MAPTHPGDNPC1TP53MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852749-B1 Pyrazolidinol compounds A-VIRAL AS (NO) 2005-02-08 US disclosed