SCHEMBL31411552

SCHEMBL31411552

CC1(C)C(=O)N(CCc2ccccc2)c2cc(C(=O)Nc3c[nH]c4ccccc34)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 2/20 0.40
CA2 P00918 1/20 0.40
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
STING1 Q86WV6 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 7/20 0.38
DRD2 P14416 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL31411617 0.91 TP53 (0.48) CA12CA1CA4CA7CA9
SCHEMBL31411710 0.84 CRHR1 (0.45) CPT2CPT1ACPT1BSTING1
SCHEMBL31411749 0.83 CPT1A (0.39) CPT2CPT1ACPT1BSTING1TP53
SCHEMBL31411721 0.83 CPT1A (0.44) CPT2CPT1ACPT1BSTING1TP53
SCHEMBL31411684 0.82 CPT1A (0.40) CA12CA1CA4CA7CPT2
SCHEMBL31411652 0.82 CRHR1 (0.40)
SCHEMBL31411761 0.82 ALDH1A1 (0.40) CPT2CPT1ACPT1BRAB9ASTING1
SCHEMBL31411901 0.82 MAPT (0.46) CPT2CPT1ACPT1BNPC1RAB9A
SCHEMBL31411560 0.81 CFTR (0.42) CPT2CPT1ACPT1BNPC1RAB9A
SCHEMBL31411563 0.78 PARK7 (0.54) CPT2CPT1ACPT1BSMN1; SMN2TP53

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-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed