SCHEMBL11265827

SCHEMBL11265827

CC(=O)N(c1nc2cc3nc(N(C(C)=O)N4CCSCC4)sc3cc2s1)N1CCSCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.39
▸ HPGD P15428 4/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.35
▸ RAB9A P51151 6/20 0.34
▸ NPC1 O15118 5/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ DRD2 P14416 1/20 0.32

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
SCHEMBL11265320 0.89 HTR2C (0.41) HTR2CHPGDRAD52SMN1; SMN2TSHR
SCHEMBL11262480 0.88 HTR2C (0.40) HTR2CHPGDRAD52SMN1; SMN2TSHR
SCHEMBL11257441 0.86 HTR2C (0.39) HTR2CHPGDRAD52SMN1; SMN2HDAC6
Hydrochloric Acid SCHEMBL11254022 0.86 RAD52 (0.41) HTR2CHPGDRAD52SMN1; SMN2TSHR
SCHEMBL11251027 0.85 HTR2C (0.39) HTR2CHPGDRAD52SMN1; SMN2HDAC6
SCHEMBL11254903 0.85 NPC1 (0.43) HTR2CHPGDRAD52SMN1; SMN2TSHR
SCHEMBL11256981 0.84 SMN1; SMN2 (0.41) HTR2CHPGDRAD52SMN1; SMN2HDAC6
SCHEMBL11256220 0.78 EPHX2 (0.41) HTR2CRAD52SMN1; SMN2TSHRRAB9A
SCHEMBL11258507 0.78 SMN1; SMN2 (0.39) HTR2CHPGDRAD52SMN1; SMN2TSHR
SCHEMBL11260549 0.78 HTR2C (0.36) HTR2CRAD52TSHRHDAC6RAB9A

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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