SCHEMBL8044906

SCHEMBL8044906

CCCCc1nnc(Sc2nc(C)cs2)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL8043606 0.92 MEN1 (0.42) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8043474 0.86 MEN1 (0.53) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8050068 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8033099 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8044890 0.80 ATM (0.47) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8043002 0.79 MEN1 (0.43) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8046339 0.79 POLB (0.41) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL8034303 0.78 RAB9A (0.46) ALDH1A1HPGDSMN1; SMN2MAPTRAB9A
SCHEMBL8051387 0.77 HSD17B10 (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL8048226 0.77 MEN1 (0.45) MEN1KMT2AALDH1A1HPGDSMN1; 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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed