SCHEMBL29237381

SCHEMBL29237381

COC(=O)C1Cc2ccc(CC#N)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.36
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PKM P14618 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ENPP2 Q13822 1/20 0.35
TBXA2R P21731 5/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 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 0.82 KMT2A (0.44) KMT2AALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL30967946 0.77 KMT2A (0.40) KMT2AALDH1A1HTTSMN1; SMN2TBXA2R
SCHEMBL11528945 0.76 TBXA2R (0.36) ENPP2TBXA2RDRD2DRD3
SCHEMBL30967862 0.76 KMT2A (0.39) KMT2AALDH1A1PKMTBXA2RMAPT
SCHEMBL29237402 0.76 KMT2A (0.39) KMT2AALDH1A1PKMTBXA2RMAPT
SCHEMBL30967877 0.75 KMT2A (0.39) KMT2AALDH1A1HTTSMN1; SMN2DRD2
SCHEMBL2464708 0.74 KMT2A (0.48) KMT2ADRD2DRD3
SCHEMBL5859196 0.74 KMT2A (0.48) KMT2AALDH1A1MAPT
SCHEMBL18989955 0.73 KMT2A (0.47) KMT2A
SCHEMBL1340597 0.73 KMT2A (0.47) KMT2ANPC1RAB9AALDH1A1SMN1; SMN2

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