SCHEMBL27683794

SCHEMBL27683794

O=C(Nc1c(O)cccc1[N+](=O)[O-])c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNMA1 Q12791 3/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ RORC P51449 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ PAX8 Q06710 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL1138444 0.86 KCNMA1 (0.56) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL7496493 0.84 KCNMA1 (0.64) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL10224040 0.82 KCNMA1 (0.55) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL249599 0.78 KCNMA1 (0.56) KCNMA1MEN1KMT2AMAPTL3MBTL1
SCHEMBL10224079 0.78 KCNMA1 (0.56) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL10223864 0.78 P2RX1 (0.65) KCNMA1MEN1KMT2ANPC1RAB9A
SCHEMBL18585890 0.77 KCNMA1 (0.67) KCNMA1MEN1KMT2ARAB9AKDM4E
SCHEMBL7253753 0.76 KCNMA1 (0.57) KCNMA1MEN1KMT2ALMNACYP2C19
SCHEMBL7253758 0.76 KCNMA1 (0.57) KCNMA1MEN1KMT2ALMNACYP2C19
SCHEMBL5357012 0.76 KCNMA1 (0.68) KCNMA1NPC1LMNAL3MBTL1RORC

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
CN-101142184-A Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS INC (IS) 2008-03-12 — — CN disclosed
CN-101076531-A Carboxylic acid peri-substituted bicyclics for occlusive artery disease DECODE CHEMISTRY INC (US) 2007-11-21 — — CN disclosed
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