SCHEMBL8640797

SCHEMBL8640797

CCn1c(Oc2ccc(OCc3ccccc3)cc2)nc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.60
MAPT P10636 5/20 0.60
NPC1 O15118 4/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
TP53 P04637 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ACSS2 Q9NR19 1/20 0.50
AR P10275 1/20 0.48
LMNA P02545 1/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.47
TSHR P16473 3/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL8641198 0.87 LMNA (0.53) RAB9AMAPTNPC1CYP1A2CYP3A4
SCHEMBL13071550 0.76 CYP1A2 (0.59) RAB9AMAPTNPC1CYP1A2CYP3A4
SCHEMBL8637102 0.73 ACSS2 (0.49) MAPTTP53KDM4EACSS2LMNA
SCHEMBL8639348 0.73 KDM4E (0.49) MAPTKMT2AMEN1TP53KDM4E
SCHEMBL21803205 0.73 ACSS2 (0.66) RAB9AMAPTNPC1CYP1A2CYP3A4
SCHEMBL16432406 0.73 PTGER4 (0.45) RAB9ANPC1KMT2AMEN1ACSS2
SCHEMBL12162198 0.72 MAPT (0.43) RAB9AMAPTNPC1CYP1A2CYP2C19
SCHEMBL9124521 0.72 AGTR1 (0.65) MAPTTP53SMN1; SMN2
SCHEMBL20715463 0.71 RAB9A (0.76) RAB9AMAPTNPC1CYP1A2CYP3A4
SCHEMBL7260311 0.71 MAPT (0.68) RAB9AMAPTNPC1CYP1A2CYP3A4

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-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed