SCHEMBL7790214

SCHEMBL7790214

Clc1cc(Oc2ccc3ccccc3c2)ncn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.47
KMO O15229 1/20 0.46
PIN1 Q13526 1/20 0.45
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRM4 P08173 1/20 0.42
GAA P10253 1/20 0.41
RCE1 Q9Y256 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
KDR P35968 1/20 0.41
AGXT P21549 1/20 0.41

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
SCHEMBL3875416 0.83 IKBKB (0.41) HAO1KMOPIN1MAPTNPC1
SCHEMBL2780055 0.83 ALDH1A1 (0.50) KMOHTTMEN1KMT2AMAPT
SCHEMBL1042628 0.83 TRPV1 (0.58) KMOHTTMEN1KMT2ACYP1A2
SCHEMBL691398 0.83 NPC1 (0.57) KMOMEN1KMT2ACYP1A2CYP2C9
SCHEMBL191210 0.82 NPC1 (0.61) KMOHTTCYP1A2CYP2C9CYP2C19
SCHEMBL3873885 0.81 KMO (0.42) KMOMEN1KMT2AKDR
SCHEMBL20551051 0.81 PPARG (0.46) HTTCYP1A2CYP2C9CYP2C19
SCHEMBL1415357 0.80 SMN1; SMN2 (0.58) KMOPIN1HTTMEN1KMT2A
SCHEMBL3875328 0.80 NPC1 (0.39) KMOPIN1HTTMAPTLMNA
SCHEMBL5068341 0.79 KDR (0.44) KMOKDR

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
US-20010049373-A1 Materials and methods for killing nematodes and nematode eggs AKKADIX CORPORATION 2001-12-06 US disclosed
WO-2001054503-A1 METHODS FOR KILLING NEMATODES AND NEMATODE EGGS USING 4-PHENOXY-6-AMINOPYRIMIDINE DERIVATIVES AKKADIX CORPORATION (US) 2001-08-02 WO disclosed