SCHEMBL8628357

SCHEMBL8628357

O=[N+]([O-])c1cccc(-c2nn[c]o2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
MAPT P10636 5/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
PSMB8 P28062 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
CA13 Q8N1Q1 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.48
ELANE P08246 1/20 0.48
KMT2A Q03164 1/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL8633196 0.81 MAPT (0.49) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL10245542 0.75 NPC1 (1.00) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6738366 0.74 TSHR (0.76) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4330245 0.74 NPC1 (0.61) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL28372775 0.73 NPC1 (0.73) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL4607599 0.73 RAB9A (0.73) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL30362152 0.73 NPC1 (0.73) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL2837185 0.73 RAB9A (0.73) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL29006444 0.73 NPC1 (0.73) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL8626847 0.72 RAB9A (0.54) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
US-4265892-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1981-05-05 US disclosed
US-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4154831-A Cephalosporins having an α-acylaminoacetic acid side chain CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed
US-4041161-A ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1977-08-09 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3964896-A Oxadiazole benzoic acid derivatives as herbicides UNIROYAL, INC. (US) 1976-06-22 US disclosed