SCHEMBL8045507

SCHEMBL8045507

Cn1cnnc1Sc1nc(C(C)(C)C)c(Br)s1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 3/20 0.31
MAPT P10636 2/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GCK P35557 2/20 0.31
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8041800 0.82 HSD17B10 (0.34) HSD17B10KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8047674 0.76
SCHEMBL8044820 0.76
SCHEMBL8047970 0.76 HTT (0.39) HSD17B10KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8042645 0.72
SCHEMBL8044857 0.72 KDM4E (0.53) HSD17B10KDM4EMEN1ALDH1A1KMT2A
SCHEMBL8052246 0.71 KMT2A (0.36) HSD17B10MEN1ALDH1A1KMT2AMAPT
SCHEMBL8042516 0.70
SCHEMBL8045327 0.70 ALDH1A1 (0.42) HSD17B10MEN1ALDH1A1KMT2AMAPT
SCHEMBL8032512 0.70

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