SCHEMBL7873871

SCHEMBL7873871

CC(C)(C[S+]([O-])c1ccc(Cl)cc1)NCCCn1ccnc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
QPCT Q16769 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
Hydrochloric Acid SCHEMBL7875266 0.99 LMNA (0.48) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL7877259 0.80 LMNA (0.54) LMNAQPCTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7913675 0.79 LMNA (0.53) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL8443962 0.77 LMNA (0.56) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL7873818 0.77 PKM (0.59) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL7877286 0.77 TP53 (0.60) LMNAQPCTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7903386 0.76 PKM (0.58) LMNAQPCTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7877349 0.76 TP53 (0.59) LMNAQPCTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2887150 0.76 LMNA (0.55) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL7876991 0.76 LMNA (0.52) LMNAQPCTCYP1A2CYP3A4CYP2D6

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