SCHEMBL7877286

SCHEMBL7877286

CC(C)(CSc1ccc(Cl)cc1)NCCCn1ccnc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.60
ALDH1A1 P00352 2/20 0.60
KDM4E B2RXH2 1/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 1/20 0.51
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
QPCT Q16769 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.45
MAPK1 P28482 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
Hydrochloric Acid SCHEMBL7877349 0.99 TP53 (0.59) TP53ALDH1A1KDM4ETSHRLMNA
SCHEMBL7879713 0.88 KMT2A (0.53) TP53ALDH1A1KDM4ETSHRCYP1A2
Hydrochloric Acid SCHEMBL7868786 0.87 POLB (0.52) TP53ALDH1A1KDM4ETSHRCYP1A2
SCHEMBL7877259 0.82 LMNA (0.54) TP53ALDH1A1LMNACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7913675 0.81 LMNA (0.53) TP53ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL8443962 0.79 LMNA (0.56) TP53ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7873818 0.79 PKM (0.59) KDM4ELMNACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7903386 0.78 PKM (0.58) KDM4ELMNACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL2887150 0.78 LMNA (0.55) TP53ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7868478 0.78 TP53 (0.74) TP53ALDH1A1KDM4ETSHRCYP1A2

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