SCHEMBL31329992

SCHEMBL31329992

Cc1ccc([N+](=O)[O-])c2ncnn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
ENPP1 P22413 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34

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
SCHEMBL29934209 0.76 ALDH1A1 (0.34) L3MBTL1POLBCYP3A4TSHRALDH1A1
SCHEMBL7791793 0.75 L3MBTL1 (0.54) L3MBTL1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL23030172 0.69 ALDH1A1 (0.36) TSHRALDH1A1HSD17B10MAPK1MAPT
SCHEMBL31329924 0.69 ALDH1A1 (0.36) TSHRALDH1A1MEN1KMT2AHSD17B10
SCHEMBL3671111 0.68 ALDH1A1 (0.43) POLBALDH1A1MEN1KMT2ATDP1
SCHEMBL24857403 0.67 EGFR (0.35) ALDH1A1
SCHEMBL24857511 0.67 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL12365558 0.67 ALDH1A1 (0.36) L3MBTL1POLBCYP3A4TSHRENPP1
SCHEMBL11603518 0.62 KDM4E (0.54) L3MBTL1POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL15804011 0.62 MAPT (0.55) L3MBTL1CYP3A4TSHRALDH1A1SMN1; SMN2

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
WO-2024249817-A1 TRICYCLIC PKMYT1 KINASE INHIBITORS ENLIVEN INC. (US) 2024-12-05 WO disclosed