SCHEMBL16707553

SCHEMBL16707553

Cc1cc(N=C=S)cc(C)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.42
P2RY6 Q15077 4/20 0.38
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PNMT P11086 1/20 0.32
ALDH1A1 P00352 4/20 0.31
CYP3A4 P08684 3/20 0.31
MAPT P10636 3/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.31
USP2 O75604 2/20 0.31
LTA P01374 2/20 0.31
HPGD P15428 2/20 0.31
P2RX3 P56373 2/20 0.31
RAD51 Q06609 2/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL1547925 0.83 MIF (0.41) MIFP2RY6CA1CA2PNMT
SCHEMBL7387255 0.78 MIF (0.55) MIFP2RY6CA1CA2PNMT
SCHEMBL16707498 0.78 P2RY6 (0.32) MIFP2RY6ALDH1A1MAPTUSP2
SCHEMBL1020699 0.77 MIF (0.44) MIFP2RY6CA1CA2PNMT
SCHEMBL15556068 0.76 MIF (0.39) MIFP2RY6CA1CA2PNMT
SCHEMBL3036837 0.76 P2RY6 (0.45) MIFP2RY6CA1CA2PNMT
SCHEMBL16707450 0.75 GABRA1 (0.39) MIFALDH1A1LMNAGABRA1GABRB2
SCHEMBL8613707 0.75 CYP3A4 (0.52) ALDH1A1CYP3A4HPGDTDP1GABRA1
SCHEMBL17961624 0.74 GABRA1 (0.36) MIFP2RY6CA1CA2CYP3A4
SCHEMBL17961622 0.74 GABRA1 (0.36) MIFP2RY6CA1CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112174903-B Small molecule modulators of TLR8 清华大学 2022-07-12 CN disclosed
US-9647218-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-09 US disclosed
US-20150129849-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2015-05-14 US disclosed