SCHEMBL5319905

SCHEMBL5319905

N#CCCCC#N.N#CCCCCC#N

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
TSHR P16473 3/20 0.56
MAPT P10636 1/20 0.46
LOX P28300 1/20 0.44
LOXL3 P58215 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CYP3A4 P08684 1/20 0.44
PKM P14618 1/20 0.35
LCK P06239 1/20 0.33
NLRP3 Q96P20 1/20 0.33
HIF1A Q16665 2/20 0.31
EPAS1 Q99814 2/20 0.31
GBA1 P04062 1/20 0.31
POLB P06746 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
SCHEMBL6000672 0.95 ALDH1A1 (0.64) ALDH1A1TDP1TSHRMAPTLOX
SCHEMBL59340 0.95
SCHEMBL60384 0.95
SCHEMBL16038142 0.95 ALDH1A1 (0.64) ALDH1A1TDP1TSHRMAPTLOX
SCHEMBL30678315 0.95
SCHEMBL1003333 0.91 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX
Hydrochloric Acid SCHEMBL2761828 0.91 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX
SCHEMBL1004438 0.91 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX
SCHEMBL411130 0.91 ALDH1A1 (0.58) ALDH1A1TDP1TSHRMAPTLOX
SCHEMBL818520 0.91

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
WO-2007082087-A2 SIMULTANEOUS RECOVERY AND CONTINUOUS EXTRACTION OF SUBSTANTIALLY PURE CARBOXYLIC ACIDS AND AMMONIUM SALTS FROM ACID HYDROLYSIS REACTION MIXTURES KEMIN INDUSTRIES, INC. (US) 2007-07-19 WO disclosed
US-20070161820-A1 Simultaneous recovery and continuous extraction of substantially pure carboxylic acids and ammonium salts from acid hydrolysis reaction mixtures KEMIN INDUSTRIES, INC. 2007-07-12 US disclosed
US-3972876-A Process for the preparation of symmetrical and unsymmetrical azines and mixtures thereof PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-08-03 US disclosed