SCHEMBL5583704

SCHEMBL5583704

COc1ccnc(C(=O)Nc2cc(F)cc(F)c2)c1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.49
PDGFRA P16234 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
GRM4 Q14833 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ABCB1 P08183 2/20 0.40
RIPK1 Q13546 1/20 0.40
CD38 P28907 1/20 0.40
POLB P06746 1/20 0.40
P2RX1 P51575 1/20 0.40
P2RX4 Q99571 1/20 0.40
P2RX7 Q99572 1/20 0.40
ABCC1 P33527 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
SCHEMBL5583581 0.88 KDR (0.49) KDRPDGFRASMN1; SMN2NPC1RAB9A
SCHEMBL5583719 0.82 NPC1 (0.53) KDRPDGFRASMN1; SMN2NPC1RAB9A
SCHEMBL5584058 0.82 NR1I2 (0.50) KDRSMN1; SMN2MAPTTSHRKDM4E
SCHEMBL5583684 0.81 KDM4E (0.55) KDRPDGFRASMN1; SMN2NPC1RAB9A
SCHEMBL5583672 0.80 SCN9A (0.54) KDRPDGFRASMN1; SMN2NPC1RAB9A
SCHEMBL5583592 0.80 GRM4 (0.54) KDRPDGFRASMN1; SMN2NPC1RAB9A
SCHEMBL5583752 0.80 MAPT (0.57) KDRNPC1RAB9AMAPT
SCHEMBL5583655 0.78 RAB9A (0.53) KDRPDGFRASMN1; SMN2NPC1RAB9A
SCHEMBL5583568 0.78 MEN1 (0.54) KDRPDGFRASMN1; SMN2NPC1RAB9A
SCHEMBL5583578 0.78 SMN1; SMN2 (0.53) KDRSMN1; SMN2NPC1RAB9AMAPT

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-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed