SCHEMBL24074056

SCHEMBL24074056

CNc1cnc(NC(=O)c2ccc(F)cc2C)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 5/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ POLQ O75417 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.42
▸ STAT3 P40763 3/20 0.41
▸ MITF O75030 1/20 0.41
▸ GPER1 Q99527 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL24074435 0.87 STAT3 (0.51) NPC1RAB9ASMN1; SMN2POLQALDH1A1
SCHEMBL24073697 0.86 ADORA2A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL24073701 0.84 POLQ (0.47) NPC1RAB9ASMN1; SMN2POLQALDH1A1
SCHEMBL24072436 0.83 POLQ (0.41) NPC1RAB9ASMN1; SMN2POLQALDH1A1
SCHEMBL24073700 0.80 MAPK14 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL25063115 0.80 STAT3 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL24073694 0.80 STAT3 (0.51) NPC1RAB9ASMN1; SMN2POLQALDH1A1
SCHEMBL24072279 0.78 MAPK14 (0.49) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL24074431 0.75 LCK (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24074613 0.75 STAT3 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 — — WO disclosed
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