SCHEMBL7879713

SCHEMBL7879713

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
QPCT Q16769 2/20 0.44
TSHR P16473 2/20 0.42
NPC1 O15118 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 SCHEMBL7868786 0.99 POLB (0.52) KMT2AMEN1POLBTDP1KDM4E
SCHEMBL7877286 0.88 TP53 (0.60) KDM4ESMN1; SMN2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7877349 0.87 TP53 (0.59) KDM4ESMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL7875270 0.77 KMT2A (0.51) KMT2AMEN1POLBTDP1KDM4E
Hydrochloric Acid SCHEMBL7877046 0.76 KMT2A (0.52) KMT2AMEN1POLBTDP1KDM4E
SCHEMBL7873864 0.73 QPCT (0.56) KMT2AMEN1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL7868600 0.73 QPCT (0.53) KMT2AMEN1POLBKDM4EGAA
SCHEMBL8949449 0.73 ALDH1A1 (0.56) KMT2AMEN1POLBKDM4EMAPT
Hydrochloric Acid SCHEMBL7875161 0.73 CYP19A1 (0.43) KMT2AMEN1MAPTGAASMN1; SMN2
SCHEMBL8444353 0.72 POLB (0.56) KMT2AMEN1POLBTDP1KDM4E

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