SCHEMBL29979933

SCHEMBL29979933

CNC(Cc1nn[nH]n1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
PIN1 Q13526 1/20 0.39
FFAR2 O15552 2/20 0.39
CYP1A2 P05177 1/20 0.39
MMP2 P08253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL23674190 1.00 TACR1 (0.42) TACR1L3MBTL1PIN1FFAR2CYP1A2
SCHEMBL27710943 0.72 L3MBTL1 (0.40) L3MBTL1PIN1FFAR2CYP1A2MMP2
SCHEMBL27710941 0.72 L3MBTL1 (0.47) L3MBTL1PIN1FFAR2ALDH1A1
SCHEMBL1541692 0.70 TAAR1 (0.57) L3MBTL1CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL13621571 0.70 TAAR1 (0.57) L3MBTL1CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL13621464 0.70 TAAR1 (0.57) L3MBTL1CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL1247778 0.69 MMP2 (0.66) L3MBTL1CYP1A2MMP2ALDH1A1
SCHEMBL9322810 0.67 SLC6A4 (0.55) L3MBTL1CYP1A2ALDH1A1CYP3A4CYP2C9
SCHEMBL9324746 0.66 GRIN2D (0.57) L3MBTL1CYP1A2ALDH1A1
SCHEMBL8248592 0.66 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9

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-4093384-A1 NOVEL CELL METABOLISM MODULATING COMPOUNDS AND USES THEREOF Crescenta Biosciences (US) 2022-11-30 EP disclosed