SCHEMBL9275437

SCHEMBL9275437

Cc1cc(CN)nc(-c2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 5/20 0.39
LMNA P02545 3/20 0.38
PRKCI P41743 1/20 0.38
KLF5 Q13887 1/20 0.37
XDH P47989 1/20 0.37
TSHR P16473 1/20 0.37
KIF11 P52732 1/20 0.37
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9275429 0.84 NPC1 (0.47) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL30885597 0.83 NPC1 (0.60) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL387104 0.81 GAA (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1GAA
SCHEMBL29410009 0.79 NPC1 (0.61) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL30250143 0.76 NPC1 (0.49) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL19400301 0.76 NPC1 (0.51) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL28330431 0.76 LMNA (0.64) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL9275433 0.73 NPC1 (0.49) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6680571 0.73 NPC1 (0.72) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL13273290 0.72 MAPT (0.45) RAB9ANPC1MAPTSMN1; SMN2LMNA

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-2012074980-A2 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISORDERS AND LIVER DISORDERS USING INDANE ACETIC ACID DERIVATIVES DARA BIOSCIENCES, INC. (US) 2012-06-07 WO disclosed