SCHEMBL702086

SCHEMBL702086

C=C(c1ncc[nH]1)c1cc(C)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
RAB9A P51151 5/20 0.44
NPC1 O15118 2/20 0.44
NISCH Q9Y2I1 1/20 0.39
PTGES O14684 3/20 0.33
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
JAK2 O60674 1/20 0.31
F2RL1 P55085 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL697814 0.85 RAB9A (0.46) KMT2ARAB9ANPC1NISCHPTGES
SCHEMBL705111 0.85 KMT2A (0.48) KMT2ARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL697121 0.82 TYK2 (0.43) KMT2ARAB9ANPC1P2RX7LMNA
SCHEMBL697919 0.77 NPC1 (0.44) KMT2ARAB9ANPC1NISCHALDH1A1
SCHEMBL698190 0.77 KMT2A (0.52) KMT2ARAB9ANPC1NISCHP2RX7
SCHEMBL697561 0.76 KMT2A (0.44) KMT2ARAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL712135 0.74 NPC1 (0.65) KMT2ARAB9ANPC1NISCHALDH1A1
SCHEMBL697587 0.74 KMT2A (0.42) KMT2ARAB9ANPC1ALDH1A1KDM4E
SCHEMBL697433 0.73 NPC1 (0.44) KMT2ARAB9ANPC1ALDH1A1HPGD
SCHEMBL698900 0.73 KMT2A (0.46) KMT2ARAB9ANPC1NISCHP2RX7

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