SCHEMBL31440795

SCHEMBL31440795

CCOC(=O)c1c(Br)nc2ccccc2c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 3/20 0.48
HPGD P15428 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
NMT2 O60551 1/20 0.46
NMT1 P30419 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46

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
SCHEMBL9607221 1.00 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL29799068 0.86 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1063212 0.86 KDM4E (0.59) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL1468948 0.86 SMN1; SMN2 (0.67) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL25082363 0.86 SMN1; SMN2 (0.66) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL30572435 0.85 KDM4E (0.57) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL28126276 0.85 SMN1; SMN2 (0.55) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL7412714 0.84 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL26606893 0.82 TSHR (0.49) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30572395 0.82 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2ALDH1A1LMNAMEN1

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
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 CN disclosed