SCHEMBL698561

SCHEMBL698561

C=C(c1ncc[nH]1)c1c(C)cccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
F2RL1 P55085 1/20 0.38
KMT2A Q03164 2/20 0.37
NISCH Q9Y2I1 2/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTOR P42345 1/20 0.35
ADK P55263 1/20 0.35
ADRA2A P08913 2/20 0.32
ADRA2C P18825 2/20 0.32
ADRA2B P18089 1/20 0.32
HTR1A P08908 1/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
KDM4E B2RXH2 1/20 0.31
CSNK1A1 P48729 1/20 0.31
TYRO3 Q06418 1/20 0.31
DYRK1B Q9Y463 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
SCHEMBL697617 0.83 NPC1 (0.42) TAAR1NPC1RAB9AKMT2ANISCH
SCHEMBL697619 0.82 KMT2A (0.41) TAAR1NPC1RAB9AF2RL1KMT2A
SCHEMBL697291 0.81 KMT2A (0.46) TAAR1NPC1RAB9AKMT2ANISCH
SCHEMBL698900 0.80 KMT2A (0.46) TAAR1NPC1RAB9AF2RL1KMT2A
SCHEMBL1573433 0.79 KMT2A (0.37) NPC1RAB9AF2RL1KMT2ANISCH
SCHEMBL696517 0.77 TAAR1 (0.47) TAAR1NPC1RAB9AF2RL1KMT2A
SCHEMBL11137294 0.77 NPC1 (0.42) NPC1RAB9AKMT2ANISCHALDH1A1
SCHEMBL705485 0.76 NPC1 (0.38) NPC1RAB9AF2RL1KMT2ANISCH
SCHEMBL697294 0.76 KMT2A (0.37) TAAR1NPC1RAB9AF2RL1KMT2A
SCHEMBL1573195 0.76 NPC1 (0.46) TAAR1NPC1RAB9AKMT2ANISCH

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
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed