SCHEMBL8044865

SCHEMBL8044865

N#CC(c1ccc2ccccc2n1)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
HSD17B10 Q99714 4/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
EGFR P00533 3/20 0.42
TOP2A P11388 3/20 0.42
TOP2B Q02880 3/20 0.42
MAPK1 P28482 2/20 0.36
MAPK9 P45984 4/20 0.36
MAPK10 P53779 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 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
SCHEMBL3267344 0.82 NCF1 (0.43) HSD17B10ALDH1A1KDM4EMAPK9MAPK10
SCHEMBL963358 0.76 ALOX5 (0.39) RAB9AHSD17B10ALDH1A1KDM4ENPC1
SCHEMBL11626865 0.76 L3MBTL1 (0.57) RAB9AALDH1A1NPC1EGFRTOP2A
SCHEMBL7995244 0.76 ALDH1A1 (0.51) RAB9AHSD17B10ALDH1A1KDM4ENPC1
SCHEMBL9866058 0.75 AHR (0.51) RAB9AHSD17B10ALDH1A1KDM4ENPC1
SCHEMBL26512422 0.73 NCF1 (0.42) RAB9AHSD17B10ALDH1A1KDM4ENPC1
SCHEMBL8035416 0.72 L3MBTL1 (0.45) RAB9AHSD17B10ALDH1A1NPC1SMN1; SMN2
SCHEMBL959406 0.72 TSHR (0.41) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL6262643 0.72 MAPK10 (0.66) HSD17B10ALDH1A1MAPK9MAPK10SMN1; SMN2
SCHEMBL10578784 0.71 L3MBTL1 (0.44) RAB9AHSD17B10ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed