SCHEMBL7137274

SCHEMBL7137274

O=CC=CN1N=Cc2ccccc2C1c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 2/20 0.40
EPAS1 Q99814 2/20 0.40
LTA4H P09960 7/20 0.40
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 3/20 0.38
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7140981 0.88 MC4R (0.40) RAB9ANPC1TP53LMNALTA4H
SCHEMBL7143022 0.79 TDP1 (0.30)
SCHEMBL7143941 0.78 MEN1 (0.31) LMNAKMT2AALDH1A1
SCHEMBL8067798 0.76 HDAC1 (0.30)
SCHEMBL7138487 0.74 MAPT (0.32) TP53
SCHEMBL7143865 0.74 MAPT (0.32) TP53
SCHEMBL7137225 0.74 MAPT (0.32) TP53
SCHEMBL7139629 0.73 LTA4H (0.46) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL7139624 0.73 LTA4H (0.46) RAB9ANPC1SMN1; SMN2TP53LMNA
SCHEMBL7141153 0.72 PSEN1 (0.32)

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
EP-0966464-B1 SUBSTITUTED 2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-05-28 EP disclosed
US-6114330-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 2000-09-05 US disclosed