SCHEMBL29856207

SCHEMBL29856207

CCc1cc2ccncc2n1C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KCNH2 Q12809 1/20 0.40
DHFR P00374 1/20 0.39
PDE10A Q9Y233 1/20 0.38
TOP2A P11388 1/20 0.38
NAMPT P43490 1/20 0.38
CYP19A1 P11511 2/20 0.37
HASPIN Q8TF76 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
QRFPR Q96P65 1/20 0.35
ATM Q13315 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
SCHEMBL24312244 0.78 MAPT (0.41) MAPTTOP2ANAMPTCYP19A1QRFPR
SCHEMBL17558908 0.76 MAPT (0.42) MAPTKCNH2TOP2ANAMPTCYP19A1
SCHEMBL10151406 0.76 MAPT (0.47) MAPTKCNH2PDE10ATOP2ANAMPT
SCHEMBL19559026 0.75 MAPT (0.41) MAPTKCNH2TOP2ANAMPTCYP19A1
SCHEMBL22502909 0.74 MAPT (0.46) MAPTKCNH2TOP2ACYP19A1HASPIN
SCHEMBL19233685 0.74 MAPT (0.46) MAPTKCNH2TOP2ACYP19A1HASPIN
SCHEMBL30771606 0.74 MAPT (0.41) MAPTNAMPTCYP19A1
SCHEMBL1882418 0.73 KMT2A (0.50)
SCHEMBL22792465 0.71 MAPT (0.44) MAPTKCNH2TOP2ANAMPTCYP19A1
SCHEMBL14327804 0.71 MAPT (0.44) MAPTKCNH2TOP2ANAMPTCYP19A1

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
WO-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed