SCHEMBL7868660

SCHEMBL7868660

CC(C)(NCCCn1ccnc1)c1ccc(CC(=O)NCc2ccc(Cl)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PKM P14618 1/20 0.50
QPCT Q16769 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL8443962 0.85 LMNA (0.56) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7876933 0.84 SMN1; SMN2 (0.52) SMN1; SMN2LMNAQPCTMEN1NPC1
Hydrochloric Acid SCHEMBL2887150 0.84 LMNA (0.55) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8444094 0.81 TP53 (0.52) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8446124 0.80 ALDH1A1 (0.51) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8445868 0.80 ALDH1A1 (0.51) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7868525 0.79 QPCT (0.51) SMN1; SMN2LMNAQPCTMEN1NPC1
Citric Acid SCHEMBL8445980 0.79 LMNA (0.54) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL8447070 0.77 TBXAS1 (0.55) SMN1; SMN2LMNAMEN1NPC1ALDH1A1
SCHEMBL8445910 0.76 CYP19A1 (0.47) SMN1; SMN2QPCTMEN1NPC1KMT2A

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