SCHEMBL9762820

SCHEMBL9762820

Cc1cc(CO)nc(Nc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 2/20 0.53
SLC2A1 P11166 1/20 0.49
RAB9A P51151 6/20 0.49
NPC1 O15118 4/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RECQL P46063 1/20 0.49
MCL1 Q07820 1/20 0.49
VSIR Q9H7M9 1/20 0.48
OGG1 O15527 1/20 0.48
KCNH2 Q12809 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47

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
SCHEMBL3302271 0.84 RAB9A (0.49) SMN1; SMN2RAB9ANPC1KDM4EKCNH3
SCHEMBL9763194 0.84 TAAR1 (0.56) TAAR1SMN1; SMN2HTTSLC2A1RAB9A
Pyrimethanil SCHEMBL20817 0.82 SMN1; SMN2 (0.71) TAAR1SMN1; SMN2HTTSLC2A1RAB9A
SCHEMBL13547971 0.82 RECQL (0.50) TAAR1SMN1; SMN2HTTRAB9ANPC1
SCHEMBL9497419 0.82 RAB9A (0.52) TAAR1SMN1; SMN2HTTSLC2A1RAB9A
SCHEMBL9505703 0.81 TAAR1 (0.54) TAAR1SMN1; SMN2HTTSLC2A1RAB9A
SCHEMBL27261700 0.81 TAAR1 (0.54) TAAR1SMN1; SMN2HTTSLC2A1RAB9A
SCHEMBL28139778 0.81 TAAR1 (0.50) TAAR1SMN1; SMN2HTTSLC2A1RAB9A
Pyrimethanil SCHEMBL10664468 0.81 SMN1; SMN2 (0.69) TAAR1SMN1; SMN2HTTSLC2A1RAB9A
Pyrimethanil SCHEMBL22041985 0.81 SMN1; SMN2 (0.69) TAAR1SMN1; SMN2HTTSLC2A1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270111-B1 PYRIMIDINE DERIVATIVES AND AGRICULTURAL OR HORTICULTURAL FUNGICIDAL COMPOSITION CONTANING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-05-15 EP disclosed
US-4992438-A Pyrimidine derivatives, process for preparing the same and agricultural or horticultural fungicidal composition containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1991-02-12 US disclosed
EP-0270111-A1 Pyrimidine derivatives and agricultural or horticultural fungicidal composition contaning the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-06-08 EP disclosed