SCHEMBL3264021

SCHEMBL3264021

CCOc1n[nH]c(Br)c1-c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ IKBKB O14920 1/20 0.40
▸ MAP3K14 Q99558 1/20 0.40
▸ APOBEC3G Q9HC16 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ ALPL P05186 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GYS1 P13807 1/20 0.35
▸ PRKAB2 O43741 1/20 0.35
▸ PRKAG1 P54619 1/20 0.35
▸ PRKAA2 P54646 1/20 0.35
▸ PRKAA1 Q13131 1/20 0.35

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
SCHEMBL3263304 0.88 IKBKB (0.41) HPGDKDM4EALDH1A1IKBKBTDP1
SCHEMBL13495274 0.85 HPGD (0.35) HPGDKDM4EALDH1A1IKBKBTDP1
SCHEMBL3390203 0.78 MAPK1 (0.43) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL3261016 0.70 KDM4E (0.43) HPGDKDM4EALDH1A1APOBEC3GTDP1
SCHEMBL10355386 0.68 ALDH1A1 (0.44) HPGDKDM4EALDH1A1TDP1LMNA
SCHEMBL3260006 0.67 CHEK1 (0.56) HPGDKDM4EALDH1A1LMNAKMT2A
SCHEMBL3261776 0.67 MAPK1 (0.50) HPGDKDM4EALDH1A1KMT2AMEN1
SCHEMBL12398406 0.66 NFKB1 (0.46) HPGDKDM4EALDH1A1TDP1KMT2A
SCHEMBL24962583 0.64 IKBKB (0.64) HPGDKDM4EALDH1A1IKBKBMAP3K14
SCHEMBL13756271 0.63 NQO1 (0.64) HPGDKDM4EALDH1A1TDP1KMT2A

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
WO-2010015656-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 — — WO disclosed
EP-2151434-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 — — EP disclosed
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