SCHEMBL28444325

SCHEMBL28444325

CC(C)(C)c1cccc(Cl)c1Oc1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP2C19 P33261 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ PIN1 Q13526 1/20 0.35
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ SQOR Q9Y6N5 1/20 0.33
▸ P2RX4 Q99571 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL28439921 0.85 KMT2A (0.41) KDM4ECYP2C19ALDH1A1NPC1CYP2D6
SCHEMBL28165762 0.84 KDM4E (0.47) KDM4ECYP2C19ALDH1A1NPC1CYP2D6
SCHEMBL27467850 0.80 KDM4E (0.42) KDM4ECYP2C19ALDH1A1NPC1CYP2D6
SCHEMBL28433387 0.77 KDM4E (0.46) KDM4ECYP2C19ALDH1A1NPC1P2RX7
SCHEMBL28441538 0.76 KDM4E (0.41) KDM4ECYP2C19ALDH1A1NPC1CYP2D6
SCHEMBL28434195 0.76 KDM4E (0.51) KDM4ENPSR1LMNATDP1
SCHEMBL28442218 0.73 KDM4E (0.39) KDM4ECYP2C19ALDH1A1NPC1CYP2D6
SCHEMBL15986584 0.71 NPC1 (0.44) KDM4ECYP2C19ALDH1A1NPC1CYP2D6
SCHEMBL10263003 0.71 CA2 (0.41) KDM4EALDH1A1NPC1ALOX5APFEN1
SCHEMBL28076103 0.71 PIN1 (0.56) KDM4EALDH1A1NPC1PIN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011251-B Synthesis method and application of 2- (2-chlorophenoxy) pyridine compound 温州医科大学 2020-08-11 — — CN disclosed
Send feedback