SCHEMBL1573433

SCHEMBL1573433

C=C(c1ncc[nH]1)c1c(F)cccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
F2RL1 P55085 6/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
MTOR P42345 1/20 0.35
ADK P55263 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
HTT P42858 1/20 0.33
NOD2 Q9HC29 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
CDK4 P11802 1/20 0.32
CDK2 P24941 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL697904 0.83 KMT2A (0.42) KMT2AF2RL1NPC1RAB9ACES2
SCHEMBL703857 0.80 KMT2A (0.39) KMT2AF2RL1NPC1RAB9AMTOR
SCHEMBL705485 0.80 NPC1 (0.38) KMT2AF2RL1NPC1RAB9ANISCH
SCHEMBL696920 0.79 KMT2A (0.51) KMT2AF2RL1NPC1RAB9ACES2
SCHEMBL698561 0.79 TAAR1 (0.44) KMT2AF2RL1NPC1RAB9AMTOR
SCHEMBL697214 0.79 CES2 (0.41) KMT2AF2RL1NPC1RAB9ACES2
SCHEMBL698933 0.77 NPC1 (0.36) KMT2AF2RL1NPC1RAB9ANISCH
SCHEMBL11137294 0.77 NPC1 (0.42) KMT2ANPC1RAB9AMTORADK
SCHEMBL27845590 0.74 KMT2A (0.33) KMT2AF2RL1
SCHEMBL706123 0.74 NPC1 (0.37) F2RL1NPC1RAB9ACES2CES1

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
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed