SCHEMBL31540958

SCHEMBL31540958

O=C(Nc1ccc([N+](=O)[O-])cc1)N(Cc1ccn2nccc2c1)C1CCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 8/20 0.46
DCUN1D1 Q96GG9 8/20 0.46
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ROCK2 O75116 1/20 0.39
NAMPT P43490 1/20 0.38
GAA P10253 1/20 0.38
NTRK1 P04629 1/20 0.38
BAZ1A Q9NRL2 1/20 0.38
EPHX1 P07099 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL31540949 0.87 TP53 (0.47) UBE2MDCUN1D1ALDH1A1LMNAMEN1
SCHEMBL31540945 0.87 UBE2M (0.48) UBE2MDCUN1D1ALDH1A1LMNAROCK2
SCHEMBL31540951 0.84 UBE2M (0.51) UBE2MDCUN1D1ALDH1A1ROCK2NTRK1
SCHEMBL31540941 0.82 NTRK1 (0.58) UBE2MDCUN1D1NTRK1TP53
SCHEMBL9257537 0.81 DCUN1D1 (0.52) UBE2MDCUN1D1ALDH1A1MEN1KMT2A
SCHEMBL31540959 0.81 NTRK1 (0.57) UBE2MDCUN1D1NTRK1TP53
SCHEMBL31540950 0.80 NTRK1 (0.57) UBE2MDCUN1D1ALDH1A1NTRK1TP53
SCHEMBL31540943 0.80 NTRK1 (0.57) UBE2MDCUN1D1ALDH1A1NTRK1TP53
SCHEMBL31540948 0.80 DCUN1D1 (0.58) UBE2MDCUN1D1
SCHEMBL31540936 0.77 DCUN1D1 (0.47) UBE2MDCUN1D1ALDH1A1LMNAMEN1

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
CN-119998281-A Neurotrophic receptor tyrosine kinase (NTRK) inhibitors and methods of use thereof 贝勒医学院 2025-05-13 CN claimed
CN-119998281-A Neurotrophic receptor tyrosine kinase (NTRK) inhibitors and methods of use thereof 贝勒医学院 2025-05-13 CN disclosed