SCHEMBL9807923

SCHEMBL9807923

Cc1nn2ccc3ccccc3c2nc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HCRTR1 O43613 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.38
PRKDC P78527 5/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP2A6 P11509 1/20 0.37
HPGD P15428 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CASP3 P42574 1/20 0.36
GAA P10253 1/20 0.36
CFTR P13569 1/20 0.35
NPC1 O15118 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
SCHEMBL9807973 0.81 KDM4E (0.40) MAPTRAB9ASMN1; SMN2ALOX15MAPK1
SCHEMBL9808007 0.81 MAPT (0.41) MAPTRAB9ASMN1; SMN2HCRTR1TP53
SCHEMBL12145408 0.80 ALDH1A1 (0.43) MAPTRAB9ASMN1; SMN2HCRTR1TP53
SCHEMBL11416817 0.73 DHODH (0.50) MAPTRAB9ASMN1; SMN2TP53MAPK1
SCHEMBL9807905 0.72 SMN1; SMN2 (0.35) MAPTRAB9ASMN1; SMN2HCRTR1TP53
SCHEMBL9807868 0.72 GSK3B (0.38) MAPTRAB9ASMN1; SMN2HCRTR1TP53
SCHEMBL11262382 0.71 DHODH (0.55) MAPTRAB9ASMN1; SMN2PARP1GAA
SCHEMBL22015496 0.71 ALDH1A1 (0.49) MAPTRAB9ASMN1; SMN2HCRTR1TP53
SCHEMBL11408772 0.71 PDE10A (0.40) MAPTRAB9ASMN1; SMN2HCRTR1TP53
SCHEMBL9807880 0.70 RAB9A (0.41) MAPTRAB9ASMN1; SMN2HCRTR1TP53

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-4994448-A Analgesics, anesthetics, muscle relaxants EGIS GYOGYSZERGYAR (HU) 1991-02-19 US disclosed