SCHEMBL9330467

SCHEMBL9330467

NCCCN1CCOCC1.O=C(O)c1cc2ccccc2cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KEAP1 Q14145 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MMP13 P45452 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.44
KDM4A O75164 1/20 0.44
POLB P06746 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL10903983 0.86 ALDH1A1 (0.50) ALDH1A1KDM4ENPSR1HPGDTSHR
SCHEMBL10336968 0.84 KDM4E (0.64) SMN1; SMN2ALDH1A1KDM4EHPGDTSHR
Carboxynaphthol SCHEMBL5162354 0.81 LDHA (0.55) SMN1; SMN2KEAP1ALDH1A1KDM4ENPSR1
SCHEMBL10436288 0.81 KDM4E (0.45) SMN1; SMN2KEAP1ALDH1A1KDM4EMMP13
SCHEMBL4580300 0.79 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1KDM4EHPGDTSHR
Hydrochloric Acid SCHEMBL10348659 0.78 ALDH1A1 (0.68) SMN1; SMN2ALDH1A1KDM4EHPGDTSHR
SCHEMBL21709940 0.77 USP2 (0.59) SMN1; SMN2ALDH1A1KDM4ECYP2D6CYP1A2
SCHEMBL10819816 0.76 KDM4E (0.56) ALDH1A1KDM4EHPGDTSHRMAOA
SCHEMBL21681923 0.76 KDM4E (0.63) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
Hydrochloric Acid SCHEMBL10893821 0.76 NPSR1 (0.49) ALDH1A1KDM4ENPSR1HPGDTSHR

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
JP-58096587-A None JP disclosed
EP-0352122-B1 Heat development type diazo copying material FUJI PHOTO FILM CO LTD (JP) 1994-03-23 EP disclosed
EP-0123224-B1 HEAT SENSITIVE RECORDING MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1988-06-29 EP disclosed
EP-0123224-A2 Heat sensitive recording materials FUJI PHOTO FILM CO., LTD. (JP) 1984-10-31 EP disclosed
JP-S5896587-A DIAZO PRESSURE SENSITIVE RECORDING MATERIAL RICOH CO LTD 1983-06-08 JP disclosed