SCHEMBL7701024

SCHEMBL7701024

O=C(NCCc1ccccc1)c1ccc(O)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.72
NPC1 O15118 10/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MAPT P10636 4/20 0.60
TAAR1 Q96RJ0 1/20 0.58
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
TSHR P16473 1/20 0.57
KDM4E B2RXH2 2/20 0.56
MLYCD O95822 1/20 0.56
POLB P06746 1/20 0.56
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54

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
SCHEMBL10077690 0.85 L3MBTL1 (0.71) RAB9ASMN1; SMN2HDAC2HDAC8HDAC6
SCHEMBL13286818 0.84 KDM4E (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7703395 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7698200 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL17038716 0.81 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL7704280 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7705702 0.81 RAB9A (0.66) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1332232 0.81 MAPT (0.84) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12999515 0.80 CA1 (0.51) RAB9ANPC1SMN1; SMN2HDAC6ALDH1A1
SCHEMBL4918238 0.80 EPHX2 (0.74) SMN1; SMN2MEN1KMT2AMAPTLMNA

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