SCHEMBL31540936

SCHEMBL31540936

O=C(Nc1ccccc1C(F)(F)F)N(Cc1ccn2nccc2c1)C1CCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 8/20 0.47
UBE2M P61081 7/20 0.47
TP53 P04637 1/20 0.45
TDP1 Q9NUW8 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHB3 P54753 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL31540937 0.87 DCUN1D1 (0.53) DCUN1D1UBE2MALDH1A1LMNA
SCHEMBL31540948 0.82 DCUN1D1 (0.58) DCUN1D1UBE2M
SCHEMBL31540949 0.82 TP53 (0.47) DCUN1D1UBE2MTP53MEN1KMT2A
SCHEMBL31540941 0.81 NTRK1 (0.58) DCUN1D1UBE2MTP53TDP1
SCHEMBL31540959 0.80 NTRK1 (0.57) DCUN1D1UBE2MTP53TDP1
SCHEMBL31540945 0.80 UBE2M (0.48) DCUN1D1UBE2MTP53ALDH1A1LMNA
SCHEMBL31540943 0.79 NTRK1 (0.57) DCUN1D1UBE2MTP53TDP1ALDH1A1
SCHEMBL31540950 0.79 NTRK1 (0.57) DCUN1D1UBE2MTP53TDP1ALDH1A1
SCHEMBL31540951 0.77 UBE2M (0.51) DCUN1D1UBE2MTP53ALDH1A1POLB
SCHEMBL31540958 0.77 UBE2M (0.46) DCUN1D1UBE2MTP53MEN1KMT2A

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