SCHEMBL8612634

SCHEMBL8612634

N=C(NC=O)Nc1cc(-c2ccccc2C2CCC2)nc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 12/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
DHODH Q02127 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ATM Q13315 1/20 0.34
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
POLB P06746 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCC1 P33527 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33

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
SCHEMBL8613391 0.98 ACP1 (0.40) ACP1MEN1KMT2ADHODHCAMKK1
SCHEMBL8617804 0.83 ACP1 (0.42) ACP1MEN1KMT2ADHODHATM
SCHEMBL8616415 0.82 ACP1 (0.42) ACP1MEN1KMT2AABCB1ABCC1
SCHEMBL8613901 0.82 ACP1 (0.51) ACP1MEN1KMT2AALDH1A1POLB
SCHEMBL8620868 0.81 ACP1 (0.42) ACP1MEN1KMT2AATM
SCHEMBL8613211 0.81 ADORA1 (0.38) ACP1MEN1KMT2ADHODHALDH1A1
SCHEMBL8620892 0.81 HTT (0.47) ACP1MEN1KMT2AALDH1A1POLB
SCHEMBL8617806 0.81 ACP1 (0.39) ACP1MEN1KMT2AATMPOLB
SCHEMBL8618001 0.79 DHODH (0.46) ACP1MEN1KMT2ADHODHALDH1A1
SCHEMBL8616287 0.79 PDE10A (0.49) ACP1MEN1KMT2AABCB1ABCC1

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