SCHEMBL28812742

SCHEMBL28812742

Clc1ccc(Cc2nc(-c3c(Cl)cccc3Cl)c[nH]2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ HTT P42858 4/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ PPP1CA P62136 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ HPGD P15428 1/20 0.36

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
SCHEMBL27967785 0.89 MEN1 (0.36) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL31305434 0.86 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL2867215 0.86 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL27967673 0.85 MAPT (0.43) SMN1; SMN2LMNAMAPTL3MBTL1MEN1
SCHEMBL2873520 0.85 P2RX7 (0.44) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL31305504 0.85 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL2867133 0.85 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL27967986 0.84 SMN1; SMN2 (0.42) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL2871467 0.83 MEN1 (0.44) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9
SCHEMBL2868184 0.83 SMN1; SMN2 (0.43) SMN1; SMN2HTTCYP1A2CYP3A4CYP2C9

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-102119240-B Surface treating agent for copper or copper alloy and use thereof SHIKOKU CHEM 2014-07-30 — — CN disclosed
Send feedback