SCHEMBL8042403

SCHEMBL8042403

CN(C)CCCn1nnnc1Sc1nc(Br)c(Br)s1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 19/20 0.38
UBE2M P61081 18/20 0.38
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8033860 0.86 DCUN1D1 (0.36) DCUN1D1UBE2MKDM1A
SCHEMBL8042957 0.86 HTT (0.41) LMNAKMT2A
SCHEMBL8050969 0.83 KMT2A (0.39) LMNAKMT2A
SCHEMBL8712546 0.83 ALDH1A1 (0.44) LMNAKMT2A
SCHEMBL8042707 0.80 ALDH1A1 (0.46) LMNAKMT2A
SCHEMBL8033637 0.79 LMNA (0.32) LMNAKMT2A
SCHEMBL8033677 0.77 ALDH1A1 (0.54) DCUN1D1UBE2MLMNAKMT2A
SCHEMBL8042045 0.77 UBE2M (0.46) DCUN1D1UBE2MKDM1A
SCHEMBL8046043 0.76 HTT (0.42) LMNAKMT2A
SCHEMBL8033923 0.75 ALDH1A1 (0.38) DCUN1D1UBE2MLMNAKMT2A

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