SCHEMBL28997299

SCHEMBL28997299

Cc1ccc(N2C(=O)CCC2CC#N)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
HTT P42858 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
SCHEMBL30226008 1.00 AR (0.44) ARPKML3MBTL1USP2HSD17B10
SCHEMBL28997292 0.81 PTGER2 (0.40) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL28997274 0.81 AR (0.38) ARHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL30226142 0.81 KDM4E (0.42) ARALDH1A1KMT2AMEN1KDM4E
SCHEMBL28997293 0.81 KDM4E (0.42) ARALDH1A1KMT2AMEN1KDM4E
SCHEMBL28997289 0.79 HSP90AA1 (0.35) ARL3MBTL1KMT2ASMN1; SMN2POLB
SCHEMBL16480404 0.77 SLC6A2 (0.53) PKML3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL28997296 0.76 HTR7 (0.41) ALDH1A1KMT2AMEN1KDM4EGAA
SCHEMBL28997141 0.76 RAB9A (0.38) ARALDH1A1KMT2AMEN1
SCHEMBL28997140 0.76 PTGER2 (0.39) ALDH1A1KDM4EMAPT

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-115894323-A Method for self-cyclizing cyanation of enaminoaniline compound 湖北工业大学 2023-04-04 CN disclosed