SCHEMBL18152696

SCHEMBL18152696

O=[N+]([O-])c1c(Cc2ccccc2)c(Br)cc2[nH]nnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.37
▸ POLB P06746 2/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32
▸ DCTPP1 Q9H773 1/20 0.32
▸ MAPT P10636 3/20 0.31
▸ NQO2 P16083 1/20 0.31
▸ GRIN1 Q05586 2/20 0.31
▸ GRIN2B Q13224 2/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA7 P43166 1/20 0.31

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
SCHEMBL5702768 0.73 GPR35 (0.44) MEN1KMT2ANQO2GRIN1GRIN2B
SCHEMBL18152815 0.72 HPGD (0.36) POLBMEN1HPGDKMT2AALDH1A1
SCHEMBL27917903 0.72 CCNB2 (0.36) HPGDALDH1A1SMN1; SMN2GRIN2B
SCHEMBL31500735 0.71 TYMS (0.36) POLBMEN1KMT2AALDH1A1CYP1A2
SCHEMBL18152714 0.70 ALDH1A1 (0.40) RIPK1POLBMEN1HPGDKMT2A
SCHEMBL18152622 0.68 MGMT (0.39) POLBMEN1KMT2ACYP1A2MAPT
SCHEMBL18152810 0.68 MDM2 (0.42) POLBALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9354810 0.68 CALM1 (0.43) RIPK1POLBMEN1KMT2AALDH1A1
SCHEMBL3878066 0.67 BCL2 (0.39) MEN1KMT2AALDH1A1MAPT
SCHEMBL10398538 0.66 ALDH1A1 (0.44) POLBMEN1HPGDKMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283077-A2 BROMODOMAIN INHIBITOR Celgene Quanticel Research, Inc. (US) 2018-02-21 — — EP disclosed
WO-2016168682-A2 BROMODOMAIN INHIBITOR CELGENE QUANTICEL RESEARCH, INC. (US) 2016-10-20 — — WO disclosed
Send feedback