SCHEMBL24619954

SCHEMBL24619954

CCCCCCC(C)Nc1ccc(NC)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 9/20 0.48
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL29745027 0.81 HCAR3 (0.44) HCAR3MAPTCRHBPCRHR2KMT2A
SCHEMBL29744939 0.79 HCAR3 (0.45) HCAR3MAPTCRHBPCRHR2KMT2A
SCHEMBL10534498 0.73 HTT (0.71) HCAR3HTTMAPTKMT2AALDH1A1
SCHEMBL8748693 0.73 MAPT (0.50) HTTMAPTPOLBKMT2AALDH1A1
SCHEMBL11576922 0.71 ALDH1A1 (0.71) HCAR3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL22071519 0.71 CA12 (0.49) HTTMAPTPOLBKMT2AALDH1A1
SCHEMBL11575459 0.71 HCAR3 (0.46) HCAR3MAPTPOLBALDH1A1CYP1A2
SCHEMBL2520028 0.70 HTT (0.58) HCAR3HTTMAPTPKMCRHBP
SCHEMBL11520102 0.70 ALDH1A1 (0.56) MAPTPOLBKMT2AALDH1A1CYP3A4
SCHEMBL11513573 0.70 ALDH1A1 (0.56) MAPTPOLBKMT2AALDH1A1CYP3A4

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-2022149618-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP 中外製薬株式会社 2022-07-14 WO disclosed