SCHEMBL7703395

SCHEMBL7703395

O=C(NCCc1ccccc1)c1ccc(Cl)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 1.00
NPC1 O15118 8/20 1.00
SMN1; SMN2 Q16637 4/20 1.00
L3MBTL1 Q9Y468 1/20 0.74
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
LMNA P02545 3/20 0.63
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MAPT P10636 3/20 0.59
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
HIF1A Q16665 1/20 0.56
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
MLYCD O95822 1/20 0.55

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
SCHEMBL1331793 0.89 NPC1 (0.79) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL1330170 0.89 NPC1 (0.80) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL4067449 0.85 L3MBTL1 (1.00) RAB9ANPC1SMN1; SMN2L3MBTL1LMNA
SCHEMBL7701024 0.84 RAB9A (0.72) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL4005974 0.84 NPC1 (0.71) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL7698200 0.83 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13996951 0.81 NPC1 (0.67) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL5948060 0.81 EPHX2 (0.72) RAB9ANPC1SMN1; SMN2L3MBTL1MEN1
SCHEMBL28551980 0.80 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1332232 0.80 MAPT (0.84) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed