SCHEMBL31039934

SCHEMBL31039934

CCN1C(=O)[C@@H](C)Nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
PTPN1 P18031 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
BRPF1 P55201 1/20 0.43
CREBBP Q92793 1/20 0.43
BRD4 O60885 1/20 0.40
ALDH1A1 P00352 11/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.38
MPI P34949 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALPL P05186 1/20 0.37
KDM4E B2RXH2 3/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL28840093 1.00 LMNA (0.45) LMNAPTPN1ADORA3BRPF1CREBBP
SCHEMBL28840089 1.00 LMNA (0.45) LMNAPTPN1ADORA3BRPF1CREBBP
SCHEMBL28840106 0.86 ALDH1A1 (0.48) PTPN1BRPF1CREBBPBRD4ALDH1A1
SCHEMBL31039932 0.86 ALDH1A1 (0.48) PTPN1BRPF1CREBBPBRD4ALDH1A1
SCHEMBL28840104 0.86 ALDH1A1 (0.48) PTPN1BRPF1CREBBPBRD4ALDH1A1
SCHEMBL28840652 0.83 POLB (0.49) BRD4ALDH1A1MAPTHTTGAA
SCHEMBL31039937 0.83 POLB (0.49) BRD4ALDH1A1MAPTHTTGAA
SCHEMBL28840086 0.83 ALDH1A1 (0.46) LMNAPTPN1BRPF1CREBBPBRD4
SCHEMBL31039935 0.83 ALDH1A1 (0.46) LMNAPTPN1BRPF1CREBBPBRD4
SCHEMBL28840090 0.83 ALDH1A1 (0.46) LMNAPTPN1BRPF1CREBBPBRD4

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-114907277-B Quinoxalinone asymmetric hydrogenation process 哈尔滨工业大学(深圳) 2024-08-06 CN disclosed