SCHEMBL8630428

SCHEMBL8630428

COc1ccc(-n2[c]nnc2-c2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.44
USP2 O75604 1/20 0.44
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
BCHE P06276 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
OXTR P30559 1/20 0.40
TNKS O95271 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
NPC1 O15118 3/20 0.39
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8629448 0.85 ALDH1A1 (0.49) KDM4ECYP3A4TSHRBCHESMN1; SMN2
SCHEMBL8628934 0.80 HSD17B10 (0.44) L3MBTL1KDM4EHTTSMN1; SMN2MAPT
SCHEMBL8631163 0.74 KDM4E (0.40) L3MBTL1KDM4ECYP3A4TSHRHTT
SCHEMBL11919914 0.73 OXTR (0.52) GAAL3MBTL1KDM4EUSP2CYP3A4
SCHEMBL11919913 0.71 OXTR (0.52) GAAL3MBTL1KDM4EUSP2CYP3A4
SCHEMBL11920079 0.71 OXTR (0.52) GAAL3MBTL1CYP3A4TSHRHTT
SCHEMBL3278138 0.70 MAPK9 (0.58) GAAL3MBTL1KDM4EUSP2CYP3A4
SCHEMBL8682578 0.70 HIF1A (0.48) GAACYP3A4BCHESMN1; SMN2MAPT
SCHEMBL8629178 0.70 TSHR (0.50) KDM4ETSHRSMN1; SMN2MAPTNPC1
SCHEMBL4094356 0.69 KDM4E (0.71) KDM4EUSP2CYP3A4SMN1; SMN2MAPT

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 9 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
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP 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-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-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed