SCHEMBL8047351

SCHEMBL8047351

Cc1csc(Sc2nnnn2Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 8/20 0.46
TSHR P16473 4/20 0.46
LMNA P02545 3/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 3/20 0.46
PKM P14618 2/20 0.46
P2RX7 Q99572 1/20 0.46
RECQL P46063 1/20 0.45
MAPK1 P28482 2/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.41

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
SCHEMBL8033559 0.88 LMNA (0.47) KMT2AALDH1A1TSHRLMNARAB9A
SCHEMBL8048583 0.84 ALDH1A1 (0.45) KMT2AALDH1A1TSHRLMNARAB9A
SCHEMBL8032682 0.82 TSHR (0.45) KMT2AALDH1A1TSHRLMNARAB9A
SCHEMBL8032361 0.81 ALDH1A1 (0.47) KMT2AALDH1A1LMNARAB9AHTT
SCHEMBL8043945 0.80 ALDH1A1 (0.57) KMT2AALDH1A1TSHRLMNAHTT
SCHEMBL8032934 0.80 ALDH1A1 (0.50) KMT2AALDH1A1TSHRLMNARAB9A
SCHEMBL8046147 0.80 ALDH1A1 (0.42) KMT2AALDH1A1TSHRLMNARAB9A
SCHEMBL8044019 0.79 KMT2A (0.40) KMT2AALDH1A1LMNARAB9APKM
SCHEMBL31399937 0.78 ALDH1A1 (0.52) KMT2AALDH1A1TSHRLMNARAB9A
SCHEMBL8043746 0.78 SMN1; SMN2 (0.43) KMT2AALDH1A1LMNARAB9APKM

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