SCHEMBL7975725

SCHEMBL7975725

CCCCCN(C=O)n1cccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
DNM1 Q05193 3/20 0.32
TACR1 P25103 1/20 0.32
NPC1 O15118 1/20 0.32
JAK2 O60674 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL28098320 0.74 ADH1C (0.47) ADH1CADH1AADH4DNM1TSHR
SCHEMBL27868845 0.74 ADH1C (0.47) ADH1CADH1AADH4DNM1TSHR
SCHEMBL28875541 0.71 DNM1 (0.42) DNM1NPC1JAK2RAB9APAX8
SCHEMBL8944529 0.70 ADH1A (0.43) ADH1CADH1AADH4DNM1TSHR
SCHEMBL28684578 0.70 ADH1A (0.43) ADH1CADH1AADH4DNM1TSHR
SCHEMBL11573150 0.69 DNM1 (0.32) DNM1
SCHEMBL4724456 0.66 TDP1 (0.31)
SCHEMBL97181 0.65 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL2361603 0.65 ADH1C (0.48) ADH1CADH1AADH4DNM1TSHR
SCHEMBL4724562 0.64 DNM1 (0.33) DNM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US claimed