SCHEMBL8045829

SCHEMBL8045829

CN(C)CCCn1nnnc1Sc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.47
DCUN1D1 Q96GG9 17/20 0.41
UBE2M P61081 16/20 0.41
KDM1A O60341 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL8717421 0.87 HTR7 (0.36) HTR7DCUN1D1UBE2MKDM1ANPSR1
SCHEMBL8043030 0.86 HTT (0.42) LMNAKMT2ANPSR1
SCHEMBL8045352 0.83 ALOX15 (0.41) HTR7LMNAKMT2ANPSR1
SCHEMBL8710280 0.82 CYP2C9 (0.44) HTR7KDM1ALMNAKMT2ANPSR1
SCHEMBL8042045 0.80 UBE2M (0.46) DCUN1D1UBE2MKDM1A
SCHEMBL8042471 0.80 ALDH1A1 (0.47) HTR7KDM1ALMNAKMT2ANPSR1
SCHEMBL8044130 0.79 NPSR1 (0.33) KDM1ALMNAKMT2ANPSR1
SCHEMBL8043225 0.78 DCUN1D1 (0.39) DCUN1D1UBE2MKDM1A
SCHEMBL8052603 0.75 DCUN1D1 (0.37) DCUN1D1UBE2MKDM1ALMNAKMT2A
SCHEMBL8038016 0.75 HTT (0.46) LMNAKMT2ANPSR1

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