SCHEMBL7876927

SCHEMBL7876927

CC(C)(CNCCCn1ccnc1)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
QPCT Q16769 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47

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 SCHEMBL7879677 0.99 LMNA (0.53) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL8443962 0.82 LMNA (0.56) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL7879667 0.82 LMNA (0.65) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL7873827 0.82 ALDH1A1 (0.54) LMNAQPCTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7873811 0.81 ALDH1A1 (0.53) LMNAQPCTCYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2887150 0.81 LMNA (0.55) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL8444094 0.79 TP53 (0.52) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL14354980 0.78 QPCT (0.55) QPCTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6571544 0.78 CYP1A2 (0.61) LMNAQPCTCYP1A2CYP3A4CYP2D6
SCHEMBL8446124 0.78 ALDH1A1 (0.51) 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 5 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
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed