SCHEMBL24294537

SCHEMBL24294537

Nc1ccc(-n2ccnn2)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 17/20 0.45
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CHRNB2 P17787 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CHRNA4 P43681 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ KEAP1 Q14145 1/20 0.37
▸ EGLN2 Q96KS0 2/20 0.36

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
SCHEMBL2627308 0.79 ALDH1A1 (0.49) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL17295779 0.79 NOTUM (0.53) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL19814171 0.79 NOTUM (0.61) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL30462844 0.79 NOTUM (0.53) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL20409480 0.79 NOTUM (0.45) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL22704548 0.79 NOTUM (0.47) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL2627229 0.76 NOTUM (0.44) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL31285600 0.76 ALDH1A1 (0.49) NOTUMKEAP1EGLN2
SCHEMBL1039243 0.76 NR4A1 (0.51) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL20265273 0.76 KDM4E (0.55) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6

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
EP-3971176-A1 AROMATIC AMINE AR AND BET TARGETING PROTEIN DEGRADATION CHIMERA COMPOUND AND USE Hinova Pharmaceuticals Inc. (CN) 2022-03-23 — — EP disclosed
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