SCHEMBL9763442

SCHEMBL9763442

CC#Cc1cc(C)nc(Nc2ccc(F)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 6/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TXN P10599 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX15 P16050 1/20 0.41
NR4A1 P22736 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
AURKA O14965 1/20 0.41
POLB P06746 1/20 0.40

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
Mepanipyrim SCHEMBL29672635 0.85 TAAR1 (0.55) KCNH3NPC1RAB9ASMN1; SMN2MEN1
Mepanipyrim SCHEMBL22040 0.85 TAAR1 (0.55) KCNH3NPC1RAB9ASMN1; SMN2MEN1
Mepanipyrim SCHEMBL28756483 0.84 TAAR1 (0.54) KCNH3NPC1RAB9ASMN1; SMN2MEN1
Mepanipyrim SCHEMBL28515840 0.79 RAB9A (0.50) NPC1RAB9AL3MBTL1SMN1; SMN2MEN1
Mepanipyrim SCHEMBL26109940 0.79 TAAR1 (0.49) KCNH3NPC1RAB9ASMN1; SMN2KDM4E
Mepanipyrim SCHEMBL9795913 0.78 TAAR1 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2MEN1
SCHEMBL6964614 0.75 TXN (0.54) KCNH3NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL6957616 0.75 RAB9A (0.51) KCNH3NPC1RAB9AL3MBTL1SMN1; SMN2
Mepanipyrim SCHEMBL18132072 0.74 TAAR1 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Mepanipyrim SCHEMBL5182844 0.73 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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