SCHEMBL27967772

SCHEMBL27967772

Clc1ccc(-c2c[nH]c(Cc3cc(Br)c(Br)cc3Br)n2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KMO O15229 6/20 0.35
▸ HPGD P15428 1/20 0.35
▸ AHR P35869 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ NPY5R Q15761 1/20 0.32
▸ CXCR2 P25025 1/20 0.32
▸ NOTUM Q6P988 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 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
SCHEMBL27967922 0.87 LMNA (0.40) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL27967685 0.85 ADORA2A (0.38) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL2872332 0.82 SMN1; SMN2 (0.39) MEN1KMT2ALMNARAB9AALDH1A1
SCHEMBL2861985 0.81 KDM4E (0.41) MEN1KMT2ALMNAALDH1A1KMO
SCHEMBL31305424 0.81 KDM4E (0.41) MEN1KMT2ALMNAALDH1A1KMO
SCHEMBL26110323 0.81 PIK3CA (0.39) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL31305531 0.80 SMN1; SMN2 (0.41) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2865484 0.80 SMN1; SMN2 (0.41) LMNANPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5755658 0.79 ADORA2A (0.44) LMNAALDH1A1KMOHPGDAHR
SCHEMBL31305393 0.79 ADORA2A (0.44) LMNAALDH1A1KMOHPGDAHR

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
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