SCHEMBL13325835

SCHEMBL13325835

Cc1ccc(-c2cn3ccc4ccccc4c3n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.72
RAB9A P51151 9/20 0.72
NPC1 O15118 8/20 0.72
KDM4E B2RXH2 7/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
TP53 P04637 5/20 0.72
KMT2A Q03164 4/20 0.72
NFKB1 P19838 3/20 0.72
NFKB2 Q00653 3/20 0.72
RELA Q04206 3/20 0.72
MAPT P10636 3/20 0.72
MEN1 O00255 3/20 0.72
HPGD P15428 3/20 0.72
LMNA P02545 1/20 0.72
GAA P10253 2/20 0.61
BLM P54132 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HSD17B10 Q99714 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 2/20 0.51

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
SCHEMBL11252935 0.88 ALDH1A1 (0.72) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL11419932 0.87 ALDH1A1 (0.71) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL973021 0.85 RAB9A (0.68) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL14767823 0.85 RAB9A (0.68) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL13325832 0.82 ALDH1A1 (0.68) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL970511 0.79 RAB9A (0.64) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL8182696 0.79 ALDH1A1 (0.57) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL11255204 0.78 ALDH1A1 (0.59) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL4558397 0.77 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL3256643 0.77 ALDH1A1 (0.54) 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-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 US disclosed