SCHEMBL8166180

SCHEMBL8166180

NC(=O)C1(c2cccc(Sc3ccc(-n4cnnc4)cc3)c2)CCOCC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.67
PIK3CD O00329 1/20 0.36
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KMT2A Q03164 2/20 0.33
F9 P00740 1/20 0.31
QPCT Q16769 1/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL7653236 0.88 ALOX5 (0.68) ALOX5PIK3CDLMNA
SCHEMBL7656075 0.82 ALOX5 (0.69) ALOX5PIK3CDALDH1A1LMNATSHR
SCHEMBL7654887 0.82 ALOX5 (0.68) ALOX5PIK3CDALDH1A1LMNATSHR
SCHEMBL3568549 0.81 ALOX5 (0.62) ALOX5PIK3CDHRH3
SCHEMBL7655164 0.81 ALOX5 (0.67) ALOX5F9
SCHEMBL8173632 0.81 ALOX5 (0.67) ALOX5ALDH1A1LMNATSHRNPSR1
SCHEMBL7651817 0.80 ALOX5 (0.66) ALOX5PIK3CDALDH1A1LMNATSHR
SCHEMBL332442 0.80 ALOX5 (1.00) ALOX5PIK3CDALDH1A1
SCHEMBL29405839 0.80 ALOX5 (1.00) ALOX5PIK3CDALDH1A1
SCHEMBL332226 0.80 ALOX5 (0.66) ALOX5PIK3CDALDH1A1LMNANPSR1

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
US-6063928-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, CARDIOTONIC AGENTS PFIZER INC (US) 2000-05-16 US disclosed