SCHEMBL9622249

SCHEMBL9622249

O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.55
GRM4 Q14833 1/20 0.54
NPC1 O15118 2/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
CCR2 P41597 1/20 0.50
CCR5 P51681 1/20 0.50
KDR P35968 5/20 0.49
FLT3 P36888 2/20 0.49
KIT P10721 1/20 0.49
CDK8 P49336 2/20 0.48
RIPK1 Q13546 1/20 0.48
CSF1R P07333 1/20 0.48
RET P07949 1/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
FLT4 P35916 1/20 0.48
FRK P42685 1/20 0.48
CAMK2B Q13554 1/20 0.48
CAMK2D Q13557 1/20 0.48

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
SCHEMBL9621932 0.90 KDR (0.56) ARGRM4NPC1CCR2CCR5
SCHEMBL10612883 0.89 NPC1 (0.50) NPC1PKMRAB9AKDRMEN1
SCHEMBL11619037 0.88 KDR (0.66) GRM4RAB9AKDRMEN1KMT2A
SCHEMBL11622735 0.88 MAPT (0.57) ARNPC1PKMRAB9AKDR
SCHEMBL11301649 0.83 MEN1 (0.55) NPC1PKMRAB9AMEN1KMT2A
SCHEMBL7607258 0.82 MAPT (0.62) RAB9ACCR2KDRMEN1KMT2A
SCHEMBL30499684 0.82 MAPT (0.62) RAB9ACCR2KDRMEN1KMT2A
Penfluron SCHEMBL117735 0.82 EPHX2 (0.60) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL10613743 0.81 NPC1 (0.57) NPC1RAB9AKDRMEN1KMT2A
SCHEMBL9728577 0.81 MEN1 (0.54) NPC1PKMRAB9AMEN1KMT2A

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
US-4085226-A Insecticidal N-(substituted phenyl)-N'-benzoyl ureas BAYER AKTIENGESELLSCHAFT (DT) 1978-04-18 US claimed
US-5096928-A Caterpillars BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
US-4782090-A Benzoyl(thio)urea pesticides BAYER AKTIENGESELLSCHAFT (DE) 1988-11-01 US disclosed