SCHEMBL8095263

SCHEMBL8095263

CCCC(C)c1ccccc1C(=O)Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 2/20 0.36
RECQL P46063 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA2 P00918 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 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
SCHEMBL8087566 0.90 ALDH1A1 (0.43) POLBTSHRKMT2AL3MBTL1KDM4E
SCHEMBL8099853 0.89 ALDH1A1 (0.46) POLBTSHRL3MBTL1ALDH1A1TP53
SCHEMBL8094356 0.87 ALDH1A1 (0.48) TSHRKMT2AALDH1A1TP53MEN1
SCHEMBL8095842 0.86 TSHR (0.55) TSHRKMT2AKDM4EALDH1A1MEN1
SCHEMBL8085931 0.85 POLB (0.40) POLBTSHRKMT2ANPC1RAB9A
SCHEMBL6859419 0.84 KMT2A (0.47) POLBTSHRKMT2ANPC1RAB9A
SCHEMBL1481893 0.83 PTPN1 (0.44) POLBTSHRKMT2ANPC1RAB9A
SCHEMBL8096204 0.83 HTT (0.38) POLBTSHRKMT2ANPC1RAB9A
SCHEMBL1003281 0.83 HTT (0.46) POLBTSHRKMT2ANPC1RAB9A
SCHEMBL8102570 0.83 SMN1; SMN2 (0.42) POLBTSHRKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed