SCHEMBL11265349

SCHEMBL11265349

CN(C(=O)CNC1CCCCCC1)c1nc2cc3nc(N(C)C(=O)CNC4CCCCCC4)sc3cc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAOB P27338 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MAOA P21397 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ WNT3A P56704 1/20 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
SCHEMBL11270188 0.74 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11253480 0.74 ALDH1A1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11253474 0.74 MGLL (0.51) MGLLMEN1KMT2ANPC1RAB9A
SCHEMBL11270185 0.74 MGLL (0.51) MGLLMEN1KMT2ANPC1RAB9A
SCHEMBL4502361 0.74 WNT3A (0.42) KMT2ANPC1RAB9AMAPTPKM
SCHEMBL11256909 0.73 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11256907 0.73 MGLL (0.49) MGLLMEN1KMT2ANPC1RAB9A
SCHEMBL4498347 0.70 WNT3A (0.40) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL11270915 0.69 HTR2C (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL11270173 0.69 KMT2A (0.39) MEN1KMT2ANPC1RAB9AMAPT

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
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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