SCHEMBL7879667

SCHEMBL7879667

CC(C)(CNCCCn1ccnc1)Oc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.65
PKM P14618 1/20 0.54
QPCT Q16769 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ADAMTS5 Q9UNA0 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL7876927 0.82 LMNA (0.54) LMNAPKMQPCTCYP1A2CYP3A4
SCHEMBL7875256 0.82 TSHR (0.57) LMNAPKMMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL7879677 0.81 LMNA (0.53) LMNAPKMQPCTCYP1A2CYP3A4
SCHEMBL7875030 0.79 PKM (0.65) LMNAPKMQPCTADAMTS5MEN1
SCHEMBL7873827 0.79 ALDH1A1 (0.54) LMNAPKMQPCTCYP1A2CYP3A4
SCHEMBL7868740 0.79 LMNA (1.00) LMNAPKMQPCTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7873811 0.78 ALDH1A1 (0.53) LMNAPKMQPCTCYP1A2CYP3A4
SCHEMBL7868580 0.78 PKM (0.64) LMNAPKMQPCTADAMTS5MEN1
SCHEMBL6571544 0.77 CYP1A2 (0.61) LMNAPKMQPCTCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7873875 0.77 PKM (0.63) LMNAPKMQPCTADAMTS5MEN1

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
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO claimed
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
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed