SCHEMBL18364673

SCHEMBL18364673

NCc1ccc(COCc2ccc(CN)o2)o1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 10/20 0.43
CYP2D6 P10635 9/20 0.43
CYP2B6 P20813 9/20 0.43
CYP2C19 P33261 9/20 0.43
CYP2E1 P05181 8/20 0.43
CYP3A4 P08684 7/20 0.43
CYP2C9 P11712 7/20 0.43
LOXL2 Q9Y4K0 2/20 0.34
CYP1A2 P05177 8/20 0.34
CYP2C8 P10632 5/20 0.34
ALOX5 P09917 2/20 0.33
POLB P06746 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL19248449 0.89 CYP2C19 (0.37) CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1
SCHEMBL17791255 0.87 ALOX5 (0.46) CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1
SCHEMBL30704427 0.84
SCHEMBL183214 0.84
Hydrochloric Acid SCHEMBL25381774 0.81 CYP2A6 (0.52) CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1
SCHEMBL16834829 0.78 NR5A1 (0.39) CYP3A4TDP1
SCHEMBL19248455 0.76 TAAR1 (0.32) ALOX5
SCHEMBL10990263 0.76 CYP2C19 (0.48) CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1
SCHEMBL6657577 0.76 CYP2A6 (0.67) CYP2A6CYP2D6CYP2B6CYP2C19CYP2E1
SCHEMBL19181981 0.75 ALOX5 (0.33) ALOX5POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287389-B2 Furan-based amines as curing agents for epoxy resins in low VOC applications SIKA TECHNOLOGY AG (CH) 2019-05-14 US disclosed
US-20170009005-A1 FURAN-BASED AMINES AS CURING AGENTS FOR EPOXY RESINS IN LOW VOC APPLICATIONS SIKA TECHNOLOGY AG (CH) 2017-01-12 US disclosed
US-20170009005-A1 FURAN-BASED AMINES AS CURING AGENTS FOR EPOXY RESINS IN LOW VOC APPLICATIONS SIKA TECHNOLOGY AG (CH) 2017-01-12 US disclosed