SCHEMBL8626112

SCHEMBL8626112

O=C(Nc1nn[c][nH]1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.49
ADORA2A P29274 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PKM P14618 1/20 0.49
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
JAK2 O60674 1/20 0.45
TYK2 P29597 1/20 0.45
SCD O00767 1/20 0.44
BCAT2 O15382 1/20 0.44
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
PAX3 P23760 1/20 0.43
FOXO1 Q12778 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
PTPN1 P18031 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL11102577 0.71 SMN1; SMN2 (0.50) MAOBADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL151398 0.71 NPC1 (0.50) MAOBADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL13872774 0.69 ADORA2A (0.54) MAOBADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL6825870 0.68 NPC1 (0.54) MAOBADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL148344 0.68 ALPL (0.68) SMN1; SMN2NPC1RAB9AKMT2AKDM4E
SCHEMBL11128707 0.68 MEN1 (0.56) NPC1RAB9AMEN1KMT2AJAK2
SCHEMBL4552789 0.68 NPC1 (0.47) MAOBADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL18293133 0.67 MEN1 (0.55) MAOBADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL8625347 0.67 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9APKMMEN1
SCHEMBL17283462 0.67 F2 (0.68) MAOBADORA2ASMN1; SMN2NPC1RAB9A

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 6 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