SCHEMBL30949243

SCHEMBL30949243

COC(=O)c1ccc(=O)n(-c2ccccc2F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 3/20 0.42
SCN2B O60939 1/20 0.41
SCN1B Q07699 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL25078533 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2ASMN1; SMN2HTT
SCHEMBL1504503 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2HTT
SCHEMBL30949218 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2HTT
SCHEMBL1504529 0.84 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2ASMN1; SMN2HTT
SCHEMBL1504547 0.84 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL16474405 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL25077892 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2NPC1
SCHEMBL30159505 0.82 PTGS1 (0.44) KDM4EKMT2ASMN1; SMN2GAASCN2B
SCHEMBL16672403 0.82 PTGS1 (0.44) KDM4EKMT2ASMN1; SMN2GAASCN2B
SCHEMBL30202817 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2ASMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4667458-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF CANCER, COMPRISING SOS1 INHIBITOR AND ANTICANCER DRUG Kanaph Therapeutics Inc. (KR) 2025-12-24 EP disclosed
CN-118119600-A SOS1 inhibitors and uses thereof 治纳辅医药科技有限公司 2024-05-31 CN disclosed