SCHEMBL8124349

SCHEMBL8124349

O=C(NF)c1cnc2ccccc2c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.41
NUDT1 P36639 1/20 0.41
TACR1 P25103 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PDE4B Q07343 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GPR3 P46089 1/20 0.38
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6669901 0.81 KDM4E (0.47) ERN1NUDT1MEN1KMT2AALDH1A1
SCHEMBL399518 0.80 HPGD (0.55) ERN1MEN1KMT2AALDH1A1MAPT
SCHEMBL11022900 0.79 DEGS1 (0.55) MAPTHTTSMN1; SMN2KDM4ENPC1
SCHEMBL6149991 0.79 MAPK1 (0.45) ERN1TACR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11089525 0.78 HPGD (0.53) ERN1MEN1KMT2AALDH1A1MAPT
SCHEMBL6195179 0.78 PDE4B (0.47) ERN1KMT2APDE4BALDH1A1MAPT
SCHEMBL8116061 0.78 KDM4E (0.56) ERN1MEN1KMT2AALDH1A1MAPT
SCHEMBL11089514 0.78 ERN1 (0.45) ERN1NUDT1MEN1KMT2AALDH1A1
SCHEMBL11026111 0.78 MAOB (0.47) MEN1KMT2AALDH1A1MAPTHTT
Alcohol SCHEMBL11089265 0.78 NMT1 (0.46) TACR1MEN1KMT2AMAPTPKM

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
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP claimed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO claimed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO disclosed