SCHEMBL25430647

SCHEMBL25430647

O=c1cc[nH]c2cc(-c3ccccc3Sc3ccc(C(F)(F)F)cc3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.55
▸ TRPV1 Q8NER1 1/20 0.40
▸ RHEB Q15382 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ SLC6A2 P23975 2/20 0.37
▸ SLC6A4 P31645 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ DYRK1A Q13627 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ ASH1L Q9NR48 1/20 0.35
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2E1 P05181 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL25431622 0.83 HSD17B10 (0.51) HSD17B10TRPV1ALDH1A1DYRK1AEPHX2
SCHEMBL25432084 0.82 HSD17B10 (0.46) HSD17B10RHEBSLC6A2SLC6A4SLC6A3
SCHEMBL25952224 0.80 HSD17B10 (0.39) HSD17B10TRPV1ALDH1A1MAPTKDM4E
SCHEMBL25429720 0.78 HSD17B10 (0.55) HSD17B10TRPV1RHEBALDH1A1EPHX2
SCHEMBL25429117 0.78 HSD17B10 (0.55) HSD17B10TRPV1ALDH1A1EPHX2MAPT
SCHEMBL25430475 0.78 HSD17B10 (0.40) HSD17B10TRPV1SLC6A2SLC6A4SLC6A3
SCHEMBL25429043 0.76 SLC6A2 (0.38) TRPV1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL25430317 0.76 HSD17B10 (0.53) HSD17B10TRPV1ALDH1A1DYRK1AEPHX2
SCHEMBL9400251 0.73 HSD17B10 (1.00) HSD17B10ALDH1A1CYP1A2MAPTKDM4E
SCHEMBL25429394 0.73 HSD17B10 (0.52) HSD17B10TRPV1

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
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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