SCHEMBL8042296

SCHEMBL8042296

CCCCn1nnc(Sc2nc(C)cs2)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
F2 P00734 1/20 0.39
NPC1 O15118 4/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 2/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL8033941 0.92 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL8043900 0.87 SMN1; SMN2 (0.36) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL8043683 0.82 HTR1A (0.47) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL8044623 0.80 RAB9A (0.37) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL8044338 0.80 POLB (0.44) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL8042050 0.80 LMNA (0.42) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL8045034 0.79 RAB9A (0.41) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL8050186 0.78 ATP4A (0.35) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL8044818 0.78 RAB9A (0.41) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL8050096 0.78 RAB9A (0.37) RAB9ASMN1; SMN2KMT2AALDH1A1MAPT

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