SCHEMBL9079405

SCHEMBL9079405

CC(C)(C)n1nnc(-c2ccc(CBr)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 5/20 0.40
KMT2A Q03164 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6601376 0.81 AOC3 (0.50) AOC3SMN1; SMN2POLBTSHRL3MBTL1
SCHEMBL9078674 0.80 AOC3 (0.48) AOC3SMN1; SMN2POLBTSHRL3MBTL1
SCHEMBL5091164 0.79 POLB (0.43) SMN1; SMN2POLBTSHRL3MBTL1RAB9A
SCHEMBL7258758 0.79 SMN1; SMN2 (0.52) AOC3SMN1; SMN2POLBTSHRL3MBTL1
SCHEMBL6601841 0.78 AOC3 (0.47) AOC3SMN1; SMN2POLBTSHRL3MBTL1
SCHEMBL22231486 0.78 AOC3 (0.47) AOC3SMN1; SMN2POLBTSHRL3MBTL1
SCHEMBL6507597 0.78 SMN1; SMN2 (0.57) AOC3SMN1; SMN2POLBTSHRL3MBTL1
SCHEMBL20714306 0.78 AOC3 (0.50) AOC3SMN1; SMN2POLBTSHRL3MBTL1
SCHEMBL9079266 0.78 AOC3 (0.47) AOC3SMN1; SMN2POLBTSHRL3MBTL1
SCHEMBL646758 0.78 RAB9A (0.46) SMN1; SMN2TSHRL3MBTL1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5508437-A APPETITE SUPPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-04-16 US disclosed
US-5296608-A Intermediates for analogs of tyrosine sulfate or tyrosine phosphate containing peptides HOFFMAN-LA ROCHE INC. (US) 1994-03-22 US disclosed
US-5182263-A Appetite suppressants HOFFMANN-LA ROCHE INC. (US) 1993-01-26 US disclosed
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 EP disclosed