SCHEMBL7873758

SCHEMBL7873758

CC(C)(COc1ccccc1)NCCCn1ccnc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.56
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
POLB P06746 1/20 0.52
CACNA1B Q00975 1/20 0.49
QPCT Q16769 3/20 0.49
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
SOD1 P00441 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL7877344 0.95 TBXAS1 (0.53) TBXAS1KMT2AMEN1POLBCACNA1B
SCHEMBL7877352 0.89 KMT2A (0.63) KMT2AMEN1POLBQPCTALDH1A1
SCHEMBL7868710 0.89 QPCT (0.64) KMT2AMEN1POLBQPCTHTT
SCHEMBL7868648 0.88 KMT2A (0.53) KMT2AMEN1POLBCACNA1BQPCT
SCHEMBL7873818 0.88 PKM (0.59) KMT2AMEN1POLBQPCTGAA
Hydrochloric Acid SCHEMBL7903386 0.87 PKM (0.58) KMT2AMEN1POLBQPCTGAA
Hydrochloric Acid SCHEMBL7873740 0.87 KMT2A (0.64) KMT2AMEN1POLBQPCTALDH1A1
SCHEMBL7877092 0.86 NOS1 (0.67) KMT2AMEN1POLBQPCTHTT
SCHEMBL7868600 0.86 QPCT (0.53) KMT2AMEN1POLBQPCTGAA
SCHEMBL9022390 0.84 HTR1B (0.38) TBXAS1TDP1

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