SCHEMBL31008758

SCHEMBL31008758

Cc1cc(C(=O)N(C)c2ccccc2)cc(C)c1Br

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TSHR P16473 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ PLAU P00749 1/20 0.49
▸ NR1H3 Q13133 2/20 0.47
▸ EGFR P00533 1/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAOA P21397 2/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NR1H2 P55055 1/20 0.43

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
SCHEMBL9001647 0.84 ATM (0.72) ATMKMT2AKDM4ETSHRHTT
SCHEMBL493114 0.78 KMT2A (0.75) ATMKMT2AKDM4ETSHRHTT
SCHEMBL9001653 0.78 KMT2A (0.75) ATMKMT2AKDM4ETSHRHTT
SCHEMBL28867918 0.77 KMT2A (0.64) ATMKMT2AKDM4EHTTPLAU
SCHEMBL9001650 0.77 MAOA (0.63) ATMKMT2AKDM4ETSHRHTT
SCHEMBL6177291 0.77 KDM1A (0.56) ATMKMT2AKDM4ETSHRHTT
SCHEMBL18615158 0.76 ALDH1A1 (0.41) TSHRHTTNPC1ALDH1A1HPGD
SCHEMBL23558023 0.76 ATM (0.58) ATMKMT2AKDM4ETSHRHTT
SCHEMBL257767 0.75 KMT2A (0.66) ATMKMT2AKDM4EHTTPLAU
SCHEMBL2462295 0.75 HSD17B2 (0.59) ATMKMT2AKDM4ETSHRHTT

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-3774722-B1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE INC (US) 2024-07-24 — — EP disclosed
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