SCHEMBL11067331

SCHEMBL11067331

CC(=O)c1cc(Br)cc(NC(=O)c2nnn[nH]2)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ HSPD1 P10809 2/20 0.34
▸ HSPE1 P61604 2/20 0.34
▸ GPR35 Q9HC97 11/20 0.33
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 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
Eflumast SCHEMBL1230501 0.86 PKM (0.32) CYP1A2CYP2C9GPR35RAB9APKM
SCHEMBL10516283 0.86 CYP1A2 (0.37) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL11072324 0.85 CYP1A2 (0.30) CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL11065854 0.84 — —
SCHEMBL11074597 0.84 LMNA (0.36) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL10513959 0.83 LMNA (0.32) LMNAHTT
SCHEMBL11076161 0.83 CYP1A2 (0.36) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL11069754 0.82 CSNK2A1 (0.33) ALDH1A1
SCHEMBL10513044 0.82 TTR (0.35) MEN1KMT2AGPR35
SCHEMBL11072771 0.81 GPR35 (0.40) MEN1MAPTKMT2ALMNAGPR35

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-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 — — US claimed
US-4442115-A ANTI-ASTHMA MAY & BAKER LIMITED (GB) 1984-04-10 — — US disclosed
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