SCHEMBL8937080

SCHEMBL8937080

CCCCCCCCCc1csc(-c2nc(CCCCCCCCC)cs2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
ADRB2 P07550 4/20 0.41
ADRB1 P08588 4/20 0.41
ADRB3 P13945 4/20 0.41
PPARA Q07869 1/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
GPR84 Q9NQS5 4/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PDE5A O76074 1/20 0.36
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL8937107 1.00 KCNH2 (0.52) KCNH2ADRB2ADRB1ADRB3PPARA
SCHEMBL28730380 0.92 KCNH2 (0.41) KCNH2ADRB2ADRB1ADRB3RAB9A
SCHEMBL19938050 0.91 KCNH2 (0.44) KCNH2ADRB2ADRB1ADRB3PPARA
SCHEMBL1470074 0.86 KCNH2 (0.47) KCNH2ADRB2ADRB1ADRB3PPARA
SCHEMBL27482174 0.85 LMNA (0.58) KCNH2ADRB2ADRB1ADRB3RAB9A
SCHEMBL27629615 0.83 LMNA (0.59) KCNH2RAB9ALMNANPC1TP53
SCHEMBL14984312 0.82 KCNH2 (0.50) KCNH2ADRB2ADRB1ADRB3RAB9A
SCHEMBL3819202 0.82 KCNH2 (0.50) KCNH2ADRB2ADRB1ADRB3GPR84
SCHEMBL18884252 0.82 KCNH2 (0.50) KCNH2ADRB2ADRB1ADRB3RAB9A
SCHEMBL8697797 0.82 KCNH2 (0.50) KCNH2ADRB2ADRB1ADRB3RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109568652-A Promote the dressing composition of wound healing 粤肽生物科技(珠海)有限公司 2019-04-05 CN disclosed
US-5536808-A Thiazole polymers and method of producing same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-07-16 US disclosed