SCHEMBL13680597

SCHEMBL13680597

Cc1nc2ccc(-c3ccc(C)o3)cc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
RAB9A P51151 6/20 0.55
NPC1 O15118 5/20 0.55
KDM4E B2RXH2 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
HPGD P15428 4/20 0.55
HCRTR1 O43613 1/20 0.55
NFKB1 P19838 1/20 0.55
STAT1 P42224 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
POLB P06746 5/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 5/20 0.51
GFER P55789 2/20 0.51
GAA P10253 2/20 0.51
GLA P06280 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TERT O14746 1/20 0.48

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
SCHEMBL2457137 0.81 RAB9A (0.67) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL13680972 0.77 ALDH1A1 (0.45) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL2756682 0.76 RAB9A (0.61) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL17066711 0.76 RAB9A (0.56) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL13680596 0.75 BRD4 (0.54) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL13041695 0.75 RAB9A (0.64) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL15747134 0.75 RAB9A (0.59) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL30572488 0.75 RAB9A (0.59) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL9980119 0.75 RAB9A (0.59) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL30572573 0.73 RAB9A (0.67) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed