SCHEMBL9655477

SCHEMBL9655477

O=[N+]([O-])c1ccccc1C1=CCC=CN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PTPN1 P18031 1/20 0.39
▸ S100A4 P26447 2/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MGAM O43451 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ SI P14410 2/20 0.37
▸ MGAM2 Q2M2H8 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GUSB P08236 1/20 0.37
▸ F2 P00734 1/20 0.37

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
SCHEMBL28995691 0.71 ALDH1A1 (0.49) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL30535903 0.71 ALDH1A1 (0.74) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL1287837 0.71 ALDH1A1 (0.74) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL9656405 0.70 ALDH1A1 (0.47) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL30987815 0.69 ALDH1A1 (0.71) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL29337140 0.69 ALDH1A1 (0.71) ALDH1A1TDP1PTPN1S100A4PTPRC
Ammonia Solution, Strong SCHEMBL9060371 0.69 ALDH1A1 (0.71) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL7369663 0.66 — —
SCHEMBL8993582 0.66 ALDH1A1 (0.61) ALDH1A1TDP1PTPN1S100A4PTPRC
SCHEMBL422417 0.66 ALDH1A1 (0.46) ALDH1A1TDP1PTPN1S100A4PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2038390-A — — None — — JP disclosed
US-5147743-A Process for the preparation of optical color filters E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-15 — — US disclosed
JP-H0238390-A TRANSFER SHEET FOR PAINTING AND METHOD FOR FIXING IMAGE YAMANO MINORU 1990-02-07 — — JP disclosed
EP-0171748-B1 NEGATIVE-TONING IMAGING SYSTEM WITH RE-IMAGING CAPABILITY USING 4-(2'-NITROPHENYL)-1,4-DIHYDROPYRIDINE COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-06-08 — — EP disclosed
US-4604340-A TACKY AND TONABLE WITH ACTINIC RADIATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-05 — — US disclosed
US-4582651-A Process for preparing hydroxyalkylaminosulfonic acids NIPPON PAINT CO., LTD. (JP) 1986-04-15 — — US disclosed
EP-0171748-A2 Negative-toning imaging system with re-imaging capability using 4-(2'-nitrophenyl)-1,4-Dihydropyridine compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-02-19 — — EP disclosed
US-4481150-A Process for preparing hydroxyalkylaminosulfonic acids NIPPON PAINT CO., LTD. (JP) 1984-11-06 — — US disclosed
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