SCHEMBL705111

SCHEMBL705111

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
ALDH1A1 P00352 5/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 1/20 0.36
IDO1 P14902 1/20 0.36
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
HTT P42858 1/20 0.33
ERCC5 P28715 1/20 0.33

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
SCHEMBL697561 0.88 KMT2A (0.44) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL702086 0.85 KMT2A (0.46) KMT2ANPC1RAB9AALDH1A1HPGD
SCHEMBL697121 0.81 TYK2 (0.43) KMT2ANPC1RAB9AJAK2TYK2
SCHEMBL11267970 0.80 AKR1C4 (0.41) KMT2ANPC1RAB9AALDH1A1CYP3A4
SCHEMBL697587 0.76 KMT2A (0.42) KMT2ANPC1RAB9AALDH1A1
SCHEMBL696873 0.75 KMT2A (0.55) KMT2ANPC1RAB9AALDH1A1JAK2
SCHEMBL696226 0.75 KMT2A (0.41) KMT2ANPC1RAB9AALDH1A1L3MBTL1
SCHEMBL6087751 0.74 FABP3 (0.48) KMT2ACYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL11304735 0.74 KMT2A (0.47) KMT2ANPC1RAB9AALDH1A1CYP1A2
SCHEMBL11137294 0.73 NPC1 (0.42) KMT2ANPC1RAB9AALDH1A1HTT

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