SCHEMBL11271015

SCHEMBL11271015

CC(=O)N(c1nc2cc3nc(N(C(C)=O)N(C)C4CCCCC4)sc3cc2s1)N(C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.40
▸ RAD52 P43351 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HCRTR1 O43613 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ OPRM1 P35372 3/20 0.36
▸ OPRD1 P41143 3/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CSF1R P07333 2/20 0.35
▸ PI4KB Q9UBF8 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL11270915 1.00 HTR2C (0.40) HTR2CRAD52KMT2AMEN1HCRTR1
Hydrochloric Acid SCHEMBL11273062 0.99 RAD52 (0.41) HTR2CRAD52KMT2AMEN1HCRTR1
SCHEMBL11255635 0.99 HTR2C (0.41) HTR2CRAD52KMT2AMEN1HCRTR1
SCHEMBL11254540 0.79 HTR2C (0.45) HTR2CRAD52KMT2ARAB9ANPC1
SCHEMBL11253480 0.74 ALDH1A1 (0.41) HTR2CRAD52KMT2AMEN1RAB9A
SCHEMBL11270188 0.74 ALDH1A1 (0.41) HTR2CRAD52KMT2AMEN1RAB9A
SCHEMBL11256909 0.73 ALDH1A1 (0.39) HTR2CRAD52KMT2AMEN1RAB9A
SCHEMBL11253928 0.72 HTR2C (0.40) HTR2CRAD52KMT2ARAB9ANPC1
SCHEMBL11256677 0.72 HTR2C (0.42) HTR2CRAD52KMT2AMEN1RAB9A
SCHEMBL11270173 0.72 KMT2A (0.39) KMT2AMEN1RAB9ANPC1OPRM1

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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