SCHEMBL703857

SCHEMBL703857

C=C(c1ncc[nH]1)c1cccc(F)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F2RL1 P55085 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
NISCH Q9Y2I1 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MC4R P32245 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
MTOR P42345 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 0.86 KMT2A (0.42) KMT2ANPC1RAB9AF2RL1SMN1; SMN2
SCHEMBL697619 0.85 KMT2A (0.41) KMT2ANPC1RAB9AF2RL1SMN1; SMN2
SCHEMBL698190 0.82 KMT2A (0.52) KMT2ANPC1RAB9AF2RL1SMN1; SMN2
SCHEMBL698128 0.82 KMT2A (0.56) KMT2ANPC1RAB9AF2RL1SMN1; SMN2
SCHEMBL697082 0.80 SMPD3 (0.38) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1573433 0.80 KMT2A (0.37) KMT2ANPC1RAB9AF2RL1ALDH1A1
SCHEMBL697291 0.78 KMT2A (0.46) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL698900 0.77 KMT2A (0.46) KMT2ANPC1RAB9AF2RL1SMN1; SMN2
SCHEMBL697294 0.76 KMT2A (0.37) KMT2ANPC1RAB9AF2RL1SMN1; SMN2
SCHEMBL697432 0.75 TAAR1 (0.44) KMT2ANPC1RAB9ATAAR1TAS1R3

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
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
CN-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed