SCHEMBL11834839

SCHEMBL11834839

CCN(CC)CCn1nc(-c2ccccc2)c2cc(C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ UHRF1 Q96T88 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ PKM P14618 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ THRB P10828 1/20 0.39

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
Hydrochloric Acid SCHEMBL11833169 0.99 PKM (0.42) POLBKMT2AHTTRAB9ASMN1; SMN2
SCHEMBL11835521 0.93 HSD17B10 (0.45) POLBKMT2AKDM4EHSD17B10TSHR
Hydrochloric Acid SCHEMBL11835498 0.92 HSD17B10 (0.44) POLBKMT2AKDM4EHSD17B10TSHR
SCHEMBL11834527 0.87 KDM4E (0.43) POLBKMT2AHTTRAB9ASMN1; SMN2
SCHEMBL11836353 0.86 MAPT (0.57) POLBKMT2AHTTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11843968 0.86 KDM4E (0.42) POLBKMT2AHTTRAB9ASMN1; SMN2
SCHEMBL11837490 0.85 HSD17B10 (0.56) POLBKMT2AHTTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11828812 0.85 MAPT (0.56) POLBKMT2AHTTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11835277 0.84 HSD17B10 (0.54) POLBKMT2AHTTRAB9ASMN1; SMN2
SCHEMBL11838059 0.82 KDM4E (0.47) POLBKMT2AHTTRAB9ASMN1; SMN2

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-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US claimed
Send feedback