SCHEMBL30995482

SCHEMBL30995482

CC(C)n1cc2ccc(Cl)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
POLB P06746 1/20 0.40
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
NR4A2 P43354 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NSD2 O96028 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAT2A P31153 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMO O15229 2/20 0.35
LRRK2 Q5S007 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34

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
SCHEMBL20117305 0.80 NOTUM (0.43) NOTUMADORA2AADORA1KDM4EALDH1A1
SCHEMBL13677502 0.79 NOTUM (0.40) NOTUMPOLBADORA2AADORA1TDP1
SCHEMBL29190597 0.79 KDM4E (0.61) NOTUMPOLBADORA2AADORA1KDM4E
SCHEMBL16595800 0.79 NOTUM (0.40) NOTUMADORA2AADORA1KDM4EALDH1A1
SCHEMBL12730004 0.76 NOTUM (0.41) NOTUMPOLBADORA2AADORA1KDM4E
SCHEMBL12269133 0.76 NOTUM (0.39) NOTUMTDP1KDM4EALDH1A1MAPT
SCHEMBL22737499 0.76 KDM4E (0.61) NOTUMPOLBNR4A2KDM4EALDH1A1
SCHEMBL22331110 0.75 NOTUM (0.40) NOTUMKDM4EALDH1A1MAPTNSD2
SCHEMBL15687166 0.75 NOTUM (0.43) NOTUMKDM4EALDH1A1MAPTNSD2
SCHEMBL30162111 0.74 ADORA2A (0.37) NOTUMADORA2AADORA1ALDH1A1LRRK2

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
CN-118530224-A Pyrimidinone compound and application thereof 深圳安泰维生物医药有限公司 2024-08-23 CN disclosed