SCHEMBL8658338

SCHEMBL8658338

CN1C(=O)NC(SCc2cccnc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.42
USP2 O75604 2/20 0.41
GFER P55789 2/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PKM P14618 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.40
DAO P14920 2/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL8659695 0.83 DDB1 (0.40) MMP1RAB9AALDH1A1PKMCYP1A2
SCHEMBL12408240 0.76 MMP1 (0.55) MMP1LMNA
SCHEMBL8663561 0.69 HSD17B10 (0.51) RAB9AALDH1A1PKMHPGDHSD17B10
SCHEMBL13621165 0.68 ALDH1A1 (0.57) GFERALDH1A1HSD17B10
SCHEMBL8667803 0.68 ALDH1A1 (0.53) ALDH1A1PKMHPGDCYP1A2CYP2C9
SCHEMBL9388351 0.65 CYP3A4 (0.55) PKMCYP1A2CYP3A4CYP2C9RECQL
SCHEMBL1145473 0.65
SCHEMBL1145470 0.65
SCHEMBL7405579 0.65 CYP1A2 (0.56) ALDH1A1CYP1A2DAO
SCHEMBL3419445 0.65 CYP1A2 (0.56) ALDH1A1CYP1A2CYP3A4CYP2C9HSD17B10

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-5767140-A USEFUL FOR TREATING AIDS SOUTHERN RESEARCH INSTITUTE (US) 1998-06-16 US disclosed