SCHEMBL9840366

SCHEMBL9840366

CCc1ccc(N=C=S)cc1N=C=S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
P2RY6 Q15077 4/20 0.42
ALDH1A1 P00352 6/20 0.38
CYP3A4 P08684 5/20 0.38
HSD17B10 Q99714 4/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
RAD51 Q06609 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 2/20 0.38
LTA P01374 2/20 0.38
P2RX3 P56373 2/20 0.38
RAD1 O60671 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL332762 0.85 GABRA1 (0.47) GABRA1GABRB2P2RY6ALDH1A1CYP3A4
SCHEMBL18245391 0.85 GABRA1 (0.50) GABRA1GABRB2P2RY6ALDH1A1CYP3A4
SCHEMBL6961977 0.80 GABRA1 (0.50) GABRA1GABRB2ALDH1A1CYP3A4HSD17B10
SCHEMBL29376372 0.79 CYP3A4 (0.61) GABRA1GABRB2ALDH1A1CYP3A4HPGD
SCHEMBL314237 0.79 CYP3A4 (0.61) GABRA1GABRB2ALDH1A1CYP3A4HPGD
SCHEMBL4739068 0.76 P2RY6 (0.46) P2RY6ALDH1A1CYP3A4HSD17B10MAPT
SCHEMBL484205 0.75 CYP3A4 (0.60) P2RY6ALDH1A1CYP3A4HSD17B10MAPT
SCHEMBL29463953 0.75 CYP3A4 (0.60) P2RY6ALDH1A1CYP3A4HSD17B10MAPT
SCHEMBL945820 0.75 GABRA1 (0.62) GABRA1GABRB2ALDH1A1CYP3A4HSD17B10
SCHEMBL18245194 0.74 P2RY6 (0.47) GABRA1GABRB2P2RY6ALDH1A1CYP3A4

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
US-5011861-A Containing functional groups capable of bonding peptides and proteins MILLIPORE CORPORATION (US) 1991-04-30 US disclosed
EP-0353460-A2 Membranes for solid phase protein sequencing MILLIPORE CORPORATION (US) 1990-02-07 EP disclosed