SCHEMBL7879609

SCHEMBL7879609

CC(C)(NCCCn1ccnc1)c1ccc(C(=O)NC2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
QPCT Q16769 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.49
NPC1 O15118 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
POLB P06746 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
HTT P42858 3/20 0.48
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 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
SCHEMBL7868525 0.89 QPCT (0.51) GAAQPCTSMN1; SMN2NPC1MEN1
SCHEMBL8646209 0.89 GAA (0.51) GAAQPCTSMN1; SMN2NPC1MEN1
SCHEMBL9021076 0.86 GAA (0.41) GAAQPCTSMN1; SMN2MEN1KMT2A
SCHEMBL7875125 0.84 KMT2A (0.43) GAAQPCTSMN1; SMN2NPC1KMT2A
SCHEMBL8445979 0.78 ALDH1A1 (0.64) GAASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7879569 0.78 QPCT (0.49) QPCTSMN1; SMN2NPC1MEN1KMT2A
SCHEMBL8226157 0.77 NPC1 (0.57) SMN1; SMN2NPC1KMT2APOLBCYP1A2
SCHEMBL8949449 0.77 ALDH1A1 (0.56) GAAQPCTSMN1; SMN2NPC1MEN1
Hydrochloric Acid SCHEMBL8949432 0.76 ALDH1A1 (0.55) GAAQPCTSMN1; SMN2NPC1MEN1
SCHEMBL8443962 0.76 LMNA (0.56) QPCTSMN1; SMN2MEN1KMT2AALDH1A1

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