SCHEMBL19791999

SCHEMBL19791999

CCOCCCCNCCCCCNC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
S1PR2 O95136 5/20 0.38
S1PR4 O95977 5/20 0.38
S1PR1 P21453 5/20 0.38
S1PR3 Q99500 5/20 0.38
S1PR5 Q9H228 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
PAOX Q6QHF9 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
EPHX2 P34913 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18508381 0.93 KDM4E (0.44) EPHX1KDM4EPOLBTHRBTDP1
SCHEMBL18551479 0.93 EPHX1 (0.52) EPHX1KDM4EPOLBTHRBTDP1
SCHEMBL19978005 0.91
SCHEMBL18551481 0.89 EPHX1 (0.48) EPHX1KDM4EPOLBTHRBTDP1
SCHEMBL18508380 0.89 KDM4E (0.44) EPHX1KDM4EPOLBTHRBTDP1
SCHEMBL21634542 0.89 EPHX1 (0.48) EPHX1KDM4EPOLBTHRBTDP1
SCHEMBL20710373 0.89 ALDH1A1 (0.48) KDM4EPOLBTHRBTDP1ALDH1A1
SCHEMBL19977997 0.86 EPHX1 (0.44) EPHX1KDM4EPOLBTHRBTDP1
SCHEMBL5933472 0.86 ALDH1A1 (0.46) KDM4EPOLBTHRBTDP1ALDH1A1
SCHEMBL19861543 0.84 ALDH1A1 (0.59) EPHX1KDM4EPOLBTHRBTDP1

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
EP-3272749-A1 AMINO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma Aktiengesellschaft (DE) 2018-01-24 EP disclosed