SCHEMBL31066545

SCHEMBL31066545

Cc1ccc2cc(C(=O)O)nn2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
PPP1CA P62136 1/20 0.40
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
RPA1 P27694 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 3/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
P2RY14 Q15391 2/20 0.36

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
SCHEMBL31066506 0.82 TP53 (0.43) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL3813756 0.79 RPA1 (0.45) SMN1; SMN2MAPTPPP1CAAPOBEC3AAPOBEC3G
SCHEMBL3811214 0.79 KDM4E (0.46) NPC1RAB9ASMN1; SMN2MAPTAPOBEC3A
SCHEMBL4914133 0.79 KMT2A (0.43) NPC1RAB9APPP1CAAPOBEC3AAPOBEC3G
SCHEMBL22129472 0.79 MAPT (0.47) NPC1RAB9ASMN1; SMN2MAPTRPA1
SCHEMBL4914023 0.76 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTPPP1CA
SCHEMBL23293765 0.76 KDM4E (0.43) NPC1RAB9AAPOBEC3AAPOBEC3GRPA1
SCHEMBL17252261 0.76 MARS1 (0.41) APOBEC3AAPOBEC3GMEN1KMT2AALDH1A1
SCHEMBL30896086 0.73 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTPPP1CA
SCHEMBL570553 0.71 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTAPOBEC3A

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-2024182447-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K VIVIDION THERAPEUTICS, INC. (US) 2024-09-06 WO disclosed