SCHEMBL30967946

SCHEMBL30967946

COC(=O)C1Cc2ccc(CC(=O)CBr)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TBXA2R P21731 9/20 0.36
OPRK1 P41145 2/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33

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
SCHEMBL29237236 0.81 KMT2A (0.44) KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL30967877 0.79 KMT2A (0.39) KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL9129362 0.78 GSK3B (0.47) KMT2A
SCHEMBL30967862 0.77 KMT2A (0.39) KMT2AALDH1A1TBXA2R
SCHEMBL29237402 0.77 KMT2A (0.39) KMT2AALDH1A1TBXA2R
SCHEMBL29237381 0.77 KMT2A (0.41) KMT2AALDH1A1HTTSMN1; SMN2TBXA2R
SCHEMBL30437369 0.75 KMT2A (0.47) KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL1339915 0.75 KMT2A (0.47) KMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL2464708 0.73 KMT2A (0.48) KMT2AOPRK1
SCHEMBL5859196 0.73 KMT2A (0.48) KMT2AALDH1A1

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed