SCHEMBL20439781

SCHEMBL20439781

O=C(c1ccccc1)N1C2C[C@@H]1Cc1ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
FAAH O00519 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ATM Q13315 1/20 0.37
CACNA1H O95180 1/20 0.37
HCRTR2 O43614 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL20425572 0.88 FAAH (0.39) MAOAMAOBFAAHMEN1KMT2A
SCHEMBL20425597 0.88 FAAH (0.39) MAOAMAOBFAAHMEN1KMT2A
SCHEMBL20439779 0.88 FAAH (0.39) MAOAMAOBFAAHMEN1KMT2A
SCHEMBL20425617 0.88 FAAH (0.39) MAOAMAOBFAAHMEN1KMT2A
SCHEMBL20439624 0.68 KMT2A (0.48) MEN1KMT2AALDH1A1LMNAABCG2
SCHEMBL20439674 0.66 SMN1; SMN2 (0.37) KMT2AHCRTR2LMNAOPRM1OPRD1
SCHEMBL20425562 0.66 SMN1; SMN2 (0.37) KMT2AHCRTR2LMNAOPRM1OPRD1
SCHEMBL29551110 0.66 HSD17B3 (0.46) MEN1KMT2AL3MBTL1TP53ALDH1A1
SCHEMBL20425850 0.66 HSD17B3 (0.46) MEN1KMT2AL3MBTL1TP53ALDH1A1
SCHEMBL20440028 0.65 MGLL (0.40) OPRM1OPRD1OPRK1

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
WO-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed