SCHEMBL8043597

SCHEMBL8043597

Sc1nnc(-c2cc(Br)ccc2Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 3/20 0.40
GAA P10253 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GUSB P08236 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 3/20 0.35
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35
HPN P05981 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL8048082 0.83 ALDH1A1 (0.47) MGAMGAASIMGAM2KDM4E
SCHEMBL8050870 0.80 MGAM (0.47) MGAMGAASIMGAM2KDM4E
SCHEMBL970693 0.75 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GUSB
SCHEMBL29678599 0.72 ALDH1A1 (0.65) MGAMGAASIMGAM2KDM4E
SCHEMBL8045944 0.72 ALDH1A1 (0.65) MGAMGAASIMGAM2KDM4E
SCHEMBL8047389 0.71 CA1 (0.49) MGAMGAASIMGAM2KDM4E
SCHEMBL15876599 0.70 MGAM (0.49) MGAMGAASIMGAM2KDM4E
SCHEMBL8042809 0.70 ALDH1A1 (0.64) MGAMGAASIMGAM2KDM4E
SCHEMBL8043262 0.70 GABRA1 (0.52) MGAMGAASIMGAM2HPGD
SCHEMBL8045495 0.69 HDAC1 (0.46) GAAKDM4EALDH1A1HPGDSMN1; SMN2

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed