SCHEMBL9830320

SCHEMBL9830320

Nc1csc(-c2cccc3ccccc23)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.45
TGFBR1 P36897 1/20 0.43
DHFR P00374 1/20 0.42
HSD17B10 Q99714 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
KEAP1 Q14145 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 2/20 0.40
CSNK2A1 P68400 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
MPL P40238 1/20 0.40
PTPN11 Q06124 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 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
SCHEMBL29654261 0.78 MPL (0.53) HTR2CTGFBR1HSD17B10ALDH1A1CYP3A4
SCHEMBL713110 0.78 HSD17B10 (0.61) HTR2CTGFBR1HSD17B10ALDH1A1CYP3A4
SCHEMBL28225169 0.78 PDE10A (0.54) HTR2CTGFBR1DHFRHSD17B10ALDH1A1
Bromide SCHEMBL8357463 0.76 HSD17B10 (0.59) HTR2CTGFBR1HSD17B10ALDH1A1CYP3A4
SCHEMBL11454418 0.76 KMT2A (0.59) HSD17B10ALDH1A1HPGDCYP3A4KDM4E
SCHEMBL28988200 0.76 ALDH1A1 (0.41) TGFBR1DHFRHSD17B10ALDH1A1HPGD
SCHEMBL9830640 0.76 HTR2B (0.60) HSD17B10ALDH1A1HPGDTSHRLMNA
SCHEMBL9830414 0.76 ATP4A (0.44) DHFRHSD17B10ALDH1A1TSHRKDM4E
SCHEMBL7570173 0.74 ALDH1A1 (0.66) HTR2CHSD17B10ALDH1A1HPGDKDM4E
SCHEMBL16516559 0.74 ALOX15 (0.50) HTR2CHSD17B10ALDH1A1HPGDTSHR

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
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP disclosed