SCHEMBL7700166

SCHEMBL7700166

CSc1ccc(C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.70
NPC1 O15118 12/20 0.70
HDAC2 Q92769 1/20 0.68
HDAC8 Q9BY41 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
SMN1; SMN2 Q16637 5/20 0.62
MAPT P10636 3/20 0.62
MLYCD O95822 2/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
TAAR1 Q96RJ0 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
ESRRG P62508 1/20 0.58

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
SCHEMBL751214 0.84 HDAC2 (0.80) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL16900376 0.83 RAB9A (1.00) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL6841899 0.82 HDAC2 (0.78) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL7282271 0.82 HDAC2 (0.78) RAB9ANPC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL28193721 0.82 HDAC2 (0.77) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL13439903 0.81 RAB9A (0.74) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL13073425 0.81 HDAC2 (0.76) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL6571020 0.81 HDAC2 (1.00) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL2919151 0.81 HDAC2 (0.76) RAB9ANPC1HDAC2HDAC8HDAC6
SCHEMBL11952643 0.80 RAB9A (1.00) RAB9ANPC1HDAC2HDAC8HDAC6

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