SCHEMBL8044008

SCHEMBL8044008

COCCCn1nnnc1Sc1nc(C(C)(C)C)c(Br)s1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TP53 P04637 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.32
USP2 O75604 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL8032337 0.87 HTT (0.39) ALDH1A1CYP2C19LMNAKMT2AUSP2
SCHEMBL8712546 0.86 ALDH1A1 (0.44) ALDH1A1TP53CYP2C9CYP2C19LMNA
SCHEMBL8052246 0.85 KMT2A (0.36) ALDH1A1TP53LMNASMN1; SMN2KMT2A
SCHEMBL8033860 0.84 DCUN1D1 (0.36)
SCHEMBL8045327 0.82 ALDH1A1 (0.42) ALDH1A1TP53CYP2C19LMNASMN1; SMN2
SCHEMBL8047183 0.81
SCHEMBL8032728 0.78 ALDH1A1 (0.37) ALDH1A1TP53LMNASMN1; SMN2KMT2A
SCHEMBL8047970 0.78 HTT (0.39) ALDH1A1TP53LMNASMN1; SMN2KMT2A
SCHEMBL8046340 0.77 KMT2A (0.34) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL8048338 0.76 ALDH1A1 (0.42) ALDH1A1TP53LMNASMN1; SMN2KMT2A

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