SCHEMBL9631015

SCHEMBL9631015

CCCCCC(=O)c1cccc(N)c1N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HSD17B3 P37058 6/20 0.45
CES2 O00748 2/20 0.43
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CES1 P23141 1/20 0.40
STS P08842 1/20 0.39

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
SCHEMBL9632445 0.98 ALDH1A1 (0.53) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL3918808 0.98 ALDH1A1 (0.53) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL3913719 0.98 ALDH1A1 (0.53) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL3919186 0.98 ALDH1A1 (0.53) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL9630981 0.95 ALDH1A1 (0.47) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL3922004 0.90 FAAH (0.51) ALDH1A1MEN1KMT2AHSD17B10KDM4E
SCHEMBL9631839 0.88 ALDH1A1 (0.43) ALDH1A1MEN1MAPTKMT2AHSD17B10
SCHEMBL312279 0.86 ALDH1A1 (0.58) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL10969538 0.86 HTT (0.47) ALDH1A1HTTMEN1MAPTKMT2A
SCHEMBL28685165 0.85 ALDH1A1 (0.60) ALDH1A1HTTMEN1MAPTKMT2A

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
EP-0368903-B1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE) AlliedSignal Inc. (US) 1992-08-26 EP disclosed
EP-0368903-A1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE). ALLIED SIGNAL INC (US) 1990-05-23 EP disclosed
WO-1989000171-A1 ALTERNATING ALIPHATIC-AROMATIC POLY(ESTERAMIDE) ALLIED-SIGNAL INC. (US) 1989-01-12 WO disclosed
US-4767839-A LIQUID CRYSTAL-FROM A DIACID AND DIESTERDIAMINE ALLIED-SIGNAL INC. (US) 1988-08-30 US disclosed