SCHEMBL31568898

SCHEMBL31568898

N#Cc1cc2ccc(Br)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.44
NOS1 P29475 1/20 0.41
METAP2 P50579 1/20 0.41
DYRK1A Q13627 1/20 0.41
CYP2A6 P11509 2/20 0.39
NR4A2 P43354 1/20 0.39
HRH4 Q9H3N8 1/20 0.38
ITK Q08881 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.35
CSNK2A1 P68400 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
SCHEMBL6336055 1.00 AHR (0.44) AHRNOS1METAP2DYRK1ACYP2A6
SCHEMBL3002661 0.86 CYP19A1 (0.47) AHRNOS1METAP2CYP2A6NR4A2
SCHEMBL17422906 0.83 AHR (0.47) AHRNOS1METAP2DYRK1ACYP2A6
SCHEMBL17422727 0.80 AHR (0.44) AHRNOS1METAP2DYRK1ACYP2A6
SCHEMBL19713224 0.80 AHR (0.44) AHRNOS1METAP2DYRK1ACYP2A6
SCHEMBL17422802 0.77 CYP19A1 (0.46) AHRNOS1METAP2DYRK1ACYP2A6
SCHEMBL20557391 0.77 CHEK1 (0.47) AHRMETAP2CYP2A6NR4A2ALDH1A1
SCHEMBL806286 0.76 DAO (0.49) CYP2A6ITKALDH1A1
SCHEMBL29820804 0.76 DAO (0.49) AHRDYRK1ACYP2A6ITK
SCHEMBL393268 0.76 MEN1 (0.41) CYP2A6HRH4ALDH1A1

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-119899188-A METTL3 inhibitors 杭州邦顺制药有限公司 2025-04-29 CN disclosed