SCHEMBL30704451

SCHEMBL30704451

c1ccc2c(c1)[nH]c1nc3cnccc3nc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.73
NPC1 O15118 2/20 0.73
TP53 P04637 2/20 0.73
CASP1 P29466 2/20 0.73
RAB9A P51151 2/20 0.73
MAPK10 P53779 2/20 0.73
CASP7 P55210 2/20 0.73
POLB P06746 2/20 0.73
MAPT P10636 7/20 0.58
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
MAPK1 P28482 1/20 0.58
AURKA O14965 2/20 0.49
PIM1 P11309 2/20 0.49
GABRA1 P14867 2/20 0.49
GABRG2 P18507 2/20 0.49
GABRB3 P28472 2/20 0.49
GABRA5 P31644 2/20 0.49

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
SCHEMBL30646327 1.00 SMN1; SMN2 (0.73) SMN1; SMN2NPC1TP53CASP1RAB9A
SCHEMBL824357 1.00 SMN1; SMN2 (0.73) SMN1; SMN2NPC1TP53CASP1RAB9A
SCHEMBL824397 1.00 SMN1; SMN2 (0.73) SMN1; SMN2NPC1TP53CASP1RAB9A
SCHEMBL29572859 0.85 RAB9A (1.00) SMN1; SMN2NPC1TP53CASP1RAB9A
SCHEMBL278729 0.85 RAB9A (1.00) SMN1; SMN2NPC1TP53CASP1RAB9A
SCHEMBL16740696 0.76 SMN1; SMN2 (0.59) SMN1; SMN2NPC1TP53CASP1RAB9A
SCHEMBL16196330 0.76 KDM4E (0.43) SMN1; SMN2NPC1TP53CASP1RAB9A
SCHEMBL17274958 0.75 SMN1; SMN2 (0.53) SMN1; SMN2NPC1TP53CASP1RAB9A
Anthraquinone SCHEMBL4660434 0.75 RAB9A (0.78) SMN1; SMN2NPC1TP53CASP1RAB9A
SCHEMBL4505367 0.75 TDO2 (0.53) SMN1; SMN2NPC1TP53CASP1RAB9A

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
EP-4543856-A1 BENZOCARBAZOLE DERIVATIVES AS INHIBITORS OF DRP1 Asha Therapeutics LLC (US) 2025-04-30 EP disclosed
WO-2023249965-A1 BENZOCARBAZOLE DERIVATIVES AS INHIBITORS OF DRP1 ASHA THERAPEUTICS LLC (US) 2023-12-28 WO disclosed