SCHEMBL7875256

SCHEMBL7875256

CC(C)(CNCCCn1ccnc1)Oc1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.47
IKBKB O14920 1/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.45
CYP19A1 P11511 1/20 0.44
SOD1 P00441 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL7879667 0.82 LMNA (0.65) ALDH1A1MEN1KMT2ALMNAPKM
SCHEMBL9021065 0.78 ALDH1A1 (0.47) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL14354980 0.73 QPCT (0.55) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL7876927 0.73 LMNA (0.54) ALDH1A1MEN1KMT2ALMNAPKM
Hydrochloric Acid SCHEMBL7879677 0.72 LMNA (0.53) ALDH1A1MEN1KMT2ALMNAPKM
Hydrochloric Acid SCHEMBL2887148 0.72 IKBKB (0.49) TSHRALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL7873827 0.70 ALDH1A1 (0.54) TSHRALDH1A1MEN1KMT2AHTT
SCHEMBL2475754 0.70 QPCT (0.67) TSHRMEN1KMT2AMAPTCYP19A1
Hydrochloric Acid SCHEMBL7873811 0.70 ALDH1A1 (0.53) TSHRALDH1A1MEN1KMT2AHTT
SCHEMBL11643874 0.70 ALDH1A1 (0.51) TSHRALDH1A1MAPK1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed