SCHEMBL9621859

SCHEMBL9621859

O=C(NC(=O)c1c(F)cccc1F)Nc1cc(F)c(C(F)(F)F)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ATM Q13315 1/20 0.49
TRPA1 O75762 4/20 0.48
TLR7 Q9NYK1 1/20 0.48
CYP1A2 P05177 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PKM P14618 1/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
PPIA P62937 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 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
SCHEMBL9621862 0.91 TLR7 (0.62) MEN1KMT2ATLR7NPC1RAB9A
SCHEMBL10612883 0.83 NPC1 (0.50) MEN1KMT2AATMTRPA1NPC1
SCHEMBL6508343 0.82 MEN1 (0.47) MEN1KMT2AATMTRPA1TLR7
SCHEMBL30499684 0.82 MAPT (0.62) MEN1KMT2ATRPA1TLR7RAB9A
SCHEMBL7607258 0.82 MAPT (0.62) MEN1KMT2ATRPA1TLR7RAB9A
Penfluron SCHEMBL117735 0.81 EPHX2 (0.60) MEN1KMT2ATRPA1TLR7CYP1A2
SCHEMBL9622249 0.81 AR (0.55) MEN1KMT2ANPC1RAB9APKM
SCHEMBL15335264 0.79 MEN1 (0.59) MEN1KMT2AATMTLR7NPC1
SCHEMBL15335265 0.79 TRPA1 (0.59) MEN1KMT2AATMTRPA1NPC1
SCHEMBL9326300 0.79 EPHX2 (0.57) MEN1KMT2ATRPA1TLR7CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096928-A Caterpillars BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US claimed
JP-1168661-A None JP disclosed
US-5096928-A Caterpillars BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 US disclosed
JP-H01168661-A SUBSTITUTED BENZOYL UREA AND THIOUREA BAYER AG 1989-07-04 JP disclosed