SCHEMBL11265320

SCHEMBL11265320

CC(=O)N(c1nc2cc3nc(N(C(C)=O)N4CCCC4)sc3cc2s1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.41
▸ RAD52 P43351 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.37
▸ RAB9A P51151 6/20 0.35
▸ NPC1 O15118 5/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ OPRM1 P35372 2/20 0.35
▸ OPRD1 P41143 2/20 0.35
▸ OPRK1 P41145 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.33
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL11262480 0.99 HTR2C (0.40) HTR2CRAD52HDAC6RAB9ANPC1
Hydrochloric Acid SCHEMBL11254022 0.97 RAD52 (0.41) HTR2CRAD52HDAC6RAB9ANPC1
SCHEMBL11257441 0.89 HTR2C (0.39) HTR2CRAD52HDAC6RAB9ANPC1
SCHEMBL11265827 0.89 HTR2C (0.39) HTR2CRAD52HDAC6RAB9ANPC1
SCHEMBL11251027 0.88 HTR2C (0.39) HTR2CRAD52HDAC6RAB9ANPC1
SCHEMBL11254903 0.88 NPC1 (0.43) HTR2CRAD52RAB9ANPC1SMN1; SMN2
SCHEMBL11260549 0.87 HTR2C (0.36) HTR2CRAD52HDAC6RAB9ANPC1
SCHEMBL11256981 0.87 SMN1; SMN2 (0.41) HTR2CRAD52HDAC6RAB9ANPC1
SCHEMBL11258507 0.85 SMN1; SMN2 (0.39) HTR2CRAD52RAB9ANPC1SMN1; SMN2
SCHEMBL11260544 0.81 HTT (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1TP53

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
Send feedback