SCHEMBL9738358

SCHEMBL9738358

CCCCCCCCCCCCCCN[N]c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.46
SIGMAR1 Q99720 1/20 0.46
EPHX1 P07099 3/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
EGFR P00533 1/20 0.41
KCNH3 Q9ULD8 1/20 0.40
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
SOAT1 P35610 1/20 0.38

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
SCHEMBL9808465 0.98 SIGMAR1 (0.47) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL10752254 0.84 SIGMAR1 (0.38) SIGMAR1ALDH1A1HTT
SCHEMBL10428051 0.81 NAAA (0.44) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL8958331 0.81 NAAA (0.44) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL8958323 0.81 NAAA (0.44) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL10428049 0.81 NAAA (0.44) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL28454510 0.80 NAAA (0.42) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL29775536 0.80 NAAA (0.42) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL29506752 0.80 NAAA (0.42) NAAASIGMAR1EPHX1ALDH1A1HTT
SCHEMBL9700634 0.75 SIGMAR1 (0.41) NAAASIGMAR1EPHX1ALDH1A1HTT

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-5110941-A Methods of producing 1H-pyraolo(5,1-c)-1,2,4-triazoles and pyrazole derivatives FUJI PHOTO FILM CO., LTD. (JP) 1992-05-05 US disclosed