SCHEMBL6200990

SCHEMBL6200990

O=C(c1cccnc1)C(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6202785 0.86 NPC1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6204706 0.85 NPC1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9877648 0.78 ALDH1A1 (0.48) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11121787 0.78 MAPT (0.40) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9878025 0.76 ALDH1A1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6199987 0.76 RAB9A (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL6203751 0.76 MAPK1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11094696 0.76 ALDH1A1 (0.48) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11094694 0.76 ALDH1A1 (0.48) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL9877329 0.76 ALDH1A1 (0.46) MAPTALDH1A1LMNAMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
EP-0117485-A2 Pyridine, pyrazine and pyrimidine derivatives and their use as fungicides F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-09-05 EP disclosed