SCHEMBL23728043

SCHEMBL23728043

CN(CCN(CCc1ccc([N+](=O)[O-])cc1)C(=O)CCl)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KCNH2 Q12809 6/20 0.48
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
TMEM97 Q5BJF2 1/20 0.41
CDC25C P30307 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL23727742 0.84 KCNH2 (0.46) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL2479710 0.84 TSHR (0.54) MEN1KMT2AKCNH2TSHRSIGMAR1
Hydrochloric Acid SCHEMBL23728039 0.81 RAB9A (0.50) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL20380500 0.76 CRHBP (0.59) MEN1KMT2AKCNH2TSHRCRHBP
SCHEMBL23727847 0.75 CNR1 (0.39) KMT2ANPC1RAB9ATDP1TSHR
SCHEMBL4810294 0.74 CRHBP (0.61) TDP1KCNH2TSHRSIGMAR1CRHBP
SCHEMBL16682369 0.73 KCNH2 (0.67) KMT2AKCNH2TSHRSIGMAR1CRHBP
SCHEMBL15618795 0.72 ALDH1A1 (0.51) RAB9ACRHBPCRHR2
Oxalic Acid SCHEMBL11231251 0.71 KCNH2 (0.59) MEN1KMT2AKCNH2TSHRSIGMAR1
Oxalic Acid SCHEMBL11231282 0.71 KCNH2 (0.59) MEN1KMT2AKCNH2TSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4100393-A1 NAMPT MODULATORS Cytokinetics, Inc. (US) 2022-12-14 EP disclosed
WO-2021159015-A1 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-08-12 WO disclosed