SCHEMBL175637

SCHEMBL175637

c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccccc4-c4nnc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)o4)o3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 18/20 0.56
NPC1 O15118 17/20 0.56
RXFP1 Q9HBX9 1/20 0.56
SMN1; SMN2 Q16637 10/20 0.56
HPGD P15428 9/20 0.56
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 6/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 5/20 0.54
MAPT P10636 4/20 0.51
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
TP53 P04637 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
POLB P06746 1/20 0.50

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
SCHEMBL17955168 0.95 RAB9A (0.55) RAB9ANPC1RXFP1SMN1; SMN2HPGD
SCHEMBL14466543 0.95 RAB9A (0.55) RAB9ANPC1RXFP1SMN1; SMN2HPGD
SCHEMBL13427011 0.94 RAB9A (0.54) RAB9ANPC1RXFP1SMN1; SMN2HPGD
SCHEMBL17955164 0.93 RAB9A (0.57) RAB9ANPC1RXFP1SMN1; SMN2HPGD
SCHEMBL19953879 0.93 RAB9A (0.49) RAB9ANPC1RXFP1SMN1; SMN2HPGD
SCHEMBL9680820 0.93 NPC1 (0.64) RAB9ANPC1RXFP1SMN1; SMN2HPGD
SCHEMBL502473 0.93 NPC1 (0.64) RAB9ANPC1RXFP1SMN1; SMN2HPGD
SCHEMBL14018360 0.93 NPC1 (0.64) RAB9ANPC1RXFP1SMN1; SMN2HPGD
SCHEMBL13009529 0.91 NPC1 (0.61) RAB9ANPC1RXFP1SMN1; SMN2HPGD
SCHEMBL1926464 0.91 NPC1 (0.68) RAB9ANPC1SMN1; SMN2HPGDALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012030421-A1 DEVICES AND METHODS QD VISION, INC. (US) 2012-03-08 WO disclosed