SCHEMBL10694055

SCHEMBL10694055

N=C(N)NCc1ccc(C(=O)Nc2ccccc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.59
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
ATM Q13315 1/20 0.53
HDAC1 Q13547 8/20 0.53
HDAC2 Q92769 6/20 0.53
HDAC3 O15379 5/20 0.53
HDAC4 P56524 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
NCOR1 O75376 1/20 0.49
CDK1 P06493 1/20 0.49

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
SCHEMBL10695460 0.84 NAMPT (0.59) NAMPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL10696004 0.84 NAMPT (0.59) NAMPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL10644987 0.81 NAMPT (0.58) NAMPTNPC1RAB9AHDAC1HDAC2
Hydrochloric Acid SCHEMBL10695546 0.80 HDAC1 (0.65) NAMPTNPC1RAB9AHDAC1HDAC2
Hydrochloric Acid SCHEMBL10606782 0.80 F2 (0.57) NAMPTNPC1RAB9AHDAC1HDAC2
Hydrochloric Acid SCHEMBL10694072 0.79 TSHR (0.58) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL10696975 0.79 POLB (0.59) NPC1RAB9AALDH1A1HDAC1HDAC2
SCHEMBL24892110 0.79 KMT2A (0.56) NAMPTNPC1RAB9AHDAC1HDAC6
Hydrochloric Acid SCHEMBL10616924 0.78 F2 (0.56) NAMPTNPC1RAB9AHDAC1HDAC2
SCHEMBL19639325 0.78 MEN1 (0.57) NAMPTNPC1RAB9AALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268267-A2 Guanidinomethylbenzoic acid derivatives, compositions containing the same, processes for preparing the same, and the use of the same in the manufacture of medicaments of therapeutic value NIPPON HYPOX LABORATORIES INCORPORATED (JP) 1988-05-25 EP disclosed