SCHEMBL31411588

SCHEMBL31411588

CC1(C)C(=O)N(Cc2csc(Cl)c2)c2cc(C(=O)Nc3c[nH]c4ccccc34)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 2/20 0.42
CPT1B Q92523 2/20 0.42
CPT2 P23786 1/20 0.42
STING1 Q86WV6 4/20 0.41
MAPT P10636 8/20 0.40
TP53 P04637 7/20 0.40
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 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
SCHEMBL31411617 0.90 TP53 (0.48) CPT1ACPT1BCPT2STING1MAPT
SCHEMBL31411749 0.87 CPT1A (0.39) CPT1ACPT1BCPT2STING1MAPT
SCHEMBL31411766 0.85 CPT1A (0.45) CPT1ACPT1BCPT2STING1MAPT
SCHEMBL31411761 0.84 ALDH1A1 (0.40) CPT1ACPT1BCPT2STING1MAPT
SCHEMBL31411560 0.82 CFTR (0.42) CPT1ACPT1BCPT2STING1MAPT
SCHEMBL31411582 0.82 CPT1A (0.42) CPT1ACPT1BCPT2STING1MAPT
SCHEMBL31411684 0.82 CPT1A (0.40) CPT1ACPT1BCPT2STING1MAPT
SCHEMBL31411552 0.81 CA12 (0.42) CPT1ACPT1BCPT2STING1MAPT
SCHEMBL31411901 0.81 MAPT (0.46) CPT1ACPT1BCPT2STING1MAPT
SCHEMBL31411710 0.80 CRHR1 (0.45) CPT1ACPT1BCPT2STING1

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