SCHEMBL8614006

SCHEMBL8614006

N=C(N)NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 7/20 0.58
KMT2A Q03164 7/20 0.58
MAPT P10636 1/20 0.58
GAA P10253 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
KCNH2 Q12809 1/20 0.55
POLB P06746 2/20 0.54
TACR3 P29371 3/20 0.54
DHODH Q02127 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
PDE10A Q9Y233 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GFER P55789 1/20 0.51

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
Hydrochloric Acid SCHEMBL8620121 0.99 KDM4E (0.59) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL8617743 0.91 CYP3A4 (0.65) KDM4ELMNAMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL8620745 0.90 CYP3A4 (0.64) KDM4ELMNAMEN1KMT2ACYP3A4
SCHEMBL8620931 0.89 POLB (0.66) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL8615244 0.89 CYP3A4 (0.56) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL8615253 0.88 CYP3A4 (0.53) KDM4ELMNAMEN1KMT2AGAA
SCHEMBL8615491 0.88 DHODH (0.64) KDM4ELMNAMEN1KMT2AGAA
SCHEMBL8615354 0.88 CYP3A4 (0.65) KDM4EMEN1KMT2AMAPTCYP3A4
SCHEMBL8617544 0.88 MEN1 (0.60) KDM4ELMNAMEN1KMT2AMAPT
SCHEMBL8619782 0.88 CYP3A4 (0.55) KDM4ELMNAMEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed