SCHEMBL10398604

SCHEMBL10398604

O=C(Nc1cccc2c(O)cccc12)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.74
PARP1 P09874 1/20 0.67
DUSP3 P51452 2/20 0.63
PTPN5 P54829 2/20 0.63
PTPN11 Q06124 2/20 0.63
CASP6 P55212 1/20 0.63
CD40 P25942 2/20 0.59
CD40LG P29965 2/20 0.59
MAPT P10636 3/20 0.58
ALDH1A1 P00352 1/20 0.58
ALOX5 P09917 1/20 0.56
KDR P35968 1/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
PABPC1 P11940 1/20 0.56
EIF4H Q15056 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
RAB9A P51151 3/20 0.55
POLB P06746 2/20 0.55
MITF O75030 1/20 0.55

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
SCHEMBL28734353 0.85 NPC1 (1.00) NPC1PARP1DUSP3PTPN5PTPN11
SCHEMBL9232842 0.84 ALOX5 (0.78) NPC1PARP1DUSP3PTPN5PTPN11
SCHEMBL11422937 0.83 NPC1 (0.58) NPC1PARP1DUSP3PTPN5PTPN11
SCHEMBL10480100 0.82 NPC1 (0.72) NPC1PARP1DUSP3PTPN5PTPN11
SCHEMBL11425944 0.82 NPC1 (0.57) NPC1PARP1DUSP3PTPN5PTPN11
SCHEMBL18992223 0.81 ALOX5 (0.72) NPC1PARP1DUSP3PTPN5PTPN11
SCHEMBL8337442 0.81 NPC1 (0.80) NPC1PARP1DUSP3PTPN5PTPN11
SCHEMBL11434698 0.80 CD40 (0.66) NPC1PARP1DUSP3PTPN5PTPN11
SCHEMBL11428711 0.80 CD40 (0.66) NPC1PARP1DUSP3PTPN5PTPN11
SCHEMBL11057910 0.80 TRPV1 (0.71) NPC1MAPTALDH1A1ALOX5MEN1

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
US-4929534-A DEVELOPER RESISTANCE HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-29 US disclosed
EP-0305873-A2 Positive photosensitive composition and photosensitive registration material made therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1989-03-08 EP disclosed
US-3976488-A COUPLER, EXTENDER, DISPERSION MEDIUM MITA INDUSTRIAL COMPANY, LTD. (JA) 1976-08-24 US disclosed
US-3948661-A Process for diazo-type multicolor reproduction MITA INDUSTRIAL COMPANY LTD. (JA) 1976-04-06 US disclosed
US-3944422-A Photosensitive material in use for diazo-type multicolor reproduction MITA INDUSTRIAL COMPANY LIMITED (JA) 1976-03-16 US disclosed