SCHEMBL9874816

SCHEMBL9874816

CCc1cc(-c2cccc(C(F)(F)F)c2)nc(-c2ccccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
CTSS P25774 4/20 0.51
KMT2A Q03164 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNH2 Q12809 5/20 0.48
GRM5 P41594 1/20 0.48
TGFBR1 P36897 1/20 0.47
MDM2 Q00987 1/20 0.47
PPP1CA P62136 1/20 0.46
KDM4E B2RXH2 2/20 0.44
KMO O15229 1/20 0.43
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43

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
SCHEMBL9874814 0.82 NPC1 (0.55) CTSKCTSSALDH1A1KCNH2KDM4E
SCHEMBL29979429 0.81 TGFBR1 (0.60) CTSSKMT2AGAAALDH1A1MEN1
SCHEMBL4025464 0.81 TGFBR1 (0.60) CTSSKMT2AGAAALDH1A1MEN1
SCHEMBL4033214 0.79 TGFBR1 (0.59) CTSSKMT2AGAAALDH1A1MEN1
SCHEMBL4183904 0.74 GRM5 (0.70) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL17826986 0.74 KDM4E (0.52) CTSKCTSSALDH1A1KCNH2KDM4E
SCHEMBL24795073 0.74 SMN1; SMN2 (0.46) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL16629561 0.72 KMO (0.58) CTSKCTSSALDH1A1LMNAKDM4E
SCHEMBL4446189 0.70 CTSK (0.67) CTSKCTSSKCNH2CTSLCTSB
SCHEMBL28392301 0.70 ASIC3 (0.48) ALDH1A1LMNATGFBR1KDM4ESMN1; SMN2

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-5022915-A Substituted 2,4-diarylpyrimidines and their use as herbicides ICI AMERICAS INC. (US) 1991-06-11 US disclosed