SCHEMBL25525157

SCHEMBL25525157

Cc1nnn(Cc2ccccc2)c1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP19A1 P11511 5/20 0.47
CFTR P13569 1/20 0.47
LMNA P02545 1/20 0.46
IDO1 P14902 1/20 0.46
PTK2 Q05397 2/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL28331497 0.83 CYP19A1 (0.58) CYP19A1LMNAIDO1ALDH1A1POLB
SCHEMBL24570448 0.82 AR (0.49) ARMEN1KMT2ACYP19A1CFTR
SCHEMBL24570774 0.82 CYP19A1 (0.46) ARMEN1KMT2ACYP19A1CFTR
SCHEMBL24361944 0.81 PTK2 (0.46) ARMEN1KMT2ACYP19A1CFTR
Acetic Acid SCHEMBL28342240 0.80 CYP19A1 (0.62) MEN1KMT2ACYP19A1IDO1ALDH1A1
SCHEMBL27514124 0.79 P2RX7 (0.62) ARMEN1KMT2ACYP19A1CFTR
SCHEMBL27953889 0.74 CDC7 (0.52) ARMEN1KMT2ACYP19A1CFTR
SCHEMBL16104116 0.73 PTK2 (0.73) KMT2APTK2ALDH1A1
SCHEMBL7142227 0.72 RAB9A (0.68) ARMEN1KMT2AALDH1A1
SCHEMBL22125994 0.72 AR (0.54) ARMEN1KMT2ALMNAALDH1A1

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
US-11670801-B2 Electrolyte solution for lithium secondary battery and lithium secondary battery comprising same HYUNDAI MOTOR COMPANY (KR) 2023-06-06 US disclosed