SCHEMBL31540945

SCHEMBL31540945

O=C(Nc1ccc(Cl)cc1)N(Cc1ccn2nccc2c1)C1CCC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 11/20 0.48
DCUN1D1 Q96GG9 11/20 0.48
SLC6A9 P48067 1/20 0.46
SLC6A5 Q9Y345 1/20 0.46
ALDH1A1 P00352 2/20 0.45
LMNA P02545 3/20 0.44
PTBP1 P26599 1/20 0.44
TP53 P04637 1/20 0.42
ROCK2 O75116 1/20 0.41
AGER Q15109 1/20 0.40
NTRK1 P04629 1/20 0.40

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 0.90 TP53 (0.47) UBE2MDCUN1D1SLC6A9SLC6A5ALDH1A1
SCHEMBL31540951 0.87 UBE2M (0.51) UBE2MDCUN1D1ALDH1A1TP53ROCK2
SCHEMBL31540958 0.87 UBE2M (0.46) UBE2MDCUN1D1ALDH1A1LMNATP53
SCHEMBL31540941 0.85 NTRK1 (0.58) UBE2MDCUN1D1TP53NTRK1
SCHEMBL31540959 0.84 NTRK1 (0.57) UBE2MDCUN1D1TP53NTRK1
SCHEMBL31540950 0.84 NTRK1 (0.57) UBE2MDCUN1D1ALDH1A1TP53NTRK1
SCHEMBL31540943 0.84 NTRK1 (0.57) UBE2MDCUN1D1ALDH1A1TP53NTRK1
SCHEMBL31540948 0.83 DCUN1D1 (0.58) UBE2MDCUN1D1
SCHEMBL30720344 0.82 NTRK1 (0.61) UBE2MDCUN1D1TP53ROCK2NTRK1
SCHEMBL31540936 0.80 DCUN1D1 (0.47) UBE2MDCUN1D1ALDH1A1LMNATP53

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