SCHEMBL8044019

SCHEMBL8044019

CCCn1nnnc1Sc1nc(C)cs1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 2/20 0.38
PKM P14618 2/20 0.38
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL8042823 0.92 ALDH1A1 (0.44) KMT2ASMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL8032361 0.88 ALDH1A1 (0.47) KMT2ASMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL8043987 0.83 ALDH1A1 (0.45) KMT2ASMN1; SMN2LMNARAB9AHSD17B10
SCHEMBL8042045 0.83 UBE2M (0.46) UBE2MDCUN1D1
SCHEMBL8033559 0.82 LMNA (0.47) KMT2ALMNARAB9AHSD17B10ALDH1A1
SCHEMBL8042838 0.80 SMN1; SMN2 (0.50) KMT2ASMN1; SMN2LMNARAB9AHSD17B10
SCHEMBL8043746 0.80 SMN1; SMN2 (0.43) KMT2ASMN1; SMN2LMNARAB9AHSD17B10
SCHEMBL8034187 0.79 HTR1A (0.44) KMT2ASMN1; SMN2LMNARAB9AALOX15
SCHEMBL8033073 0.79 RAB9A (0.36) KMT2ASMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL8047351 0.79 KMT2A (0.47) KMT2ALMNARAB9AALDH1A1PKM

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