SCHEMBL9136709

SCHEMBL9136709

CC1(C)C(C(=O)c2ncc[nH]2)C1C(=O)c1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.35
NR3C1 P04150 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
BRAF P15056 1/20 0.33
HDAC1 Q13547 1/20 0.33
HSPA5 P11021 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
HTT P42858 1/20 0.32
TBXAS1 P24557 1/20 0.30

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
SCHEMBL2425503 0.73 KMT2A (0.45) NPC1RAB9AKMT2AGLAALDH1A1
SCHEMBL34651 0.71
SCHEMBL98748 0.71
Urea SCHEMBL28133713 0.71 NPC1 (0.49) NPC1RAB9AKMT2AGLAALDH1A1
SCHEMBL2004766 0.71 NPC1 (0.52) NPC1RAB9AKMT2AGLAALDH1A1
SCHEMBL1324 0.71 NPC1 (0.62) NPC1RAB9AKMT2AGLAALDH1A1
SCHEMBL26916822 0.70 NPC1 (0.45) NPC1RAB9AKMT2AGLANR3C1
SCHEMBL2418976 0.70 JAK3 (0.44) NPC1RAB9AKMT2AGLAALDH1A1
SCHEMBL26917154 0.70 KMT2A (0.42) NPC1RAB9AKMT2AGLAALDH1A1
Bromide SCHEMBL6990879 0.70 HRH3 (0.47) NPC1RAB9AKMT2AGLASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5464759-A Sequential oligonucleotide syntheses using immunoaffinity techniques BIONEBRASKA, INC. (US) 1995-11-07 US disclosed
US-5221736-A Sequential peptide and oligonucleotide syntheses using immunoaffinity techniques BIONEBRASKA, INC. (US) 1993-06-22 US disclosed
EP-0449980-A4 SEQUENTIAL PEPTIDE AND OLIGONUCLEOTIDE SYNTHESIS USING IMMUNOAFFINITY TECHNIQUES 1991-11-21 EP disclosed
EP-0449980-A1 SEQUENTIAL PEPTIDE AND OLIGONUCLEOTIDE SYNTHESIS USING IMMUNOAFFINITY TECHNIQUES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1991-10-09 EP disclosed
WO-1990006936-A1 SEQUENTIAL PEPTIDE AND OLIGONUCLEOTIDE SYNTHESIS USING IMMUNOAFFINITY TECHNIQUES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1990-06-28 WO disclosed