SCHEMBL8042704

SCHEMBL8042704

CN(C)CCCn1nnnc1Sc1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 11/20 0.44
KDM1A O60341 2/20 0.43
UBE2M P61081 8/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
AGTR1 P30556 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
HTR2A P28223 1/20 0.41
DRD2 P14416 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL8044049 0.89 HTR1A (0.54) DCUN1D1UBE2MMAPTNPC1RAB9A
SCHEMBL8046481 0.88 ALDH1A1 (0.44) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL8044646 0.86 ALDH1A1 (0.52) DCUN1D1MAPTALDH1A1NPC1RAB9A
SCHEMBL8032462 0.85 CYP2C19 (0.39) DCUN1D1MAPTALDH1A1NPC1RAB9A
SCHEMBL8043207 0.83 MAPT (0.44) MAPTALDH1A1NPC1RAB9AKDM4E
SCHEMBL8051108 0.82 KMT2A (0.38) DCUN1D1KDM1AMAPTALDH1A1NPC1
SCHEMBL8720492 0.82 RAB9A (0.41) DCUN1D1UBE2MALDH1A1NPC1RAB9A
SCHEMBL8043614 0.81 DCUN1D1 (0.41) DCUN1D1UBE2MHTR1AHTR7HTR2A
SCHEMBL8042146 0.80 KDM4E (0.42) DCUN1D1UBE2MMAPTNPC1RAB9A
SCHEMBL8042045 0.80 UBE2M (0.46) DCUN1D1KDM1AUBE2M

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