SCHEMBL7868642

SCHEMBL7868642

Cc1nccn1CCCNCCCc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
MAPK1 P28482 1/20 0.41
ADRB2 P07550 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL8443179 0.88 ALDH1A1 (0.50) CA12CA1CA2CA9ALDH1A1
SCHEMBL8444367 0.83 CHRM2 (0.55) CA12CA1CA2CA9ALDH1A1
SCHEMBL27220883 0.83 ALDH1A1 (0.67) CA12CA1CA2CA9ALDH1A1
SCHEMBL7875320 0.82 DRD4 (0.60) CA12CA1CA2CA9ALDH1A1
SCHEMBL8445718 0.80 ALDH1A1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL27294495 0.78 ESR1 (0.46) ALDH1A1KMT2AMEN1
SCHEMBL22762070 0.77 ALDH1A1 (0.69) CA12CA1CA2CA9ALDH1A1
SCHEMBL28937534 0.77 ALDH1A1 (0.74) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL9371942 0.76 ESR1 (0.44) ALDH1A1KMT2AMEN1
SCHEMBL28713383 0.76 ALDH1A1 (0.72) CA12CA1CA2CA9ALDH1A1

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