SCHEMBL24611548

SCHEMBL24611548

CCc1ccccc1NC1C=CC=CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
PKM P14618 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 4/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.35
MPI P34949 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL21427579 0.79 MAPT (0.37) POLBALDH1A1GAAMAPTHTT
SCHEMBL19152022 0.76 EPHX2 (0.35) KMT2APOLBALDH1A1GAAMAPT
SCHEMBL20244530 0.76 MDM4 (0.35)
SCHEMBL12694226 0.73 ALDH1A1 (0.40) KMT2APOLBALDH1A1GAAMAPT
SCHEMBL24060363 0.73 ALDH1A1 (0.38) KMT2AALDH1A1MAPTHTTMEN1
SCHEMBL12782076 0.71 NFKB1 (0.46) KMT2APKMPOLBALDH1A1GAA
SCHEMBL12196007 0.71 NFKB1 (0.46) KMT2APKMPOLBALDH1A1GAA
SCHEMBL12693335 0.68 HNF4A (0.36) KMT2AALDH1A1HTTMEN1SMN1; SMN2
SCHEMBL27551091 0.66 ALDH1A1 (0.48) KMT2APKMPOLBALDH1A1GAA
SCHEMBL27630001 0.66 ALDH1A1 (0.48) KMT2APOLBALDH1A1GAAMAPT

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
EP-3347355-B1 HETEROTRICYCLIC SULFONAMIDES AS ANTI-CANCER AGENTS ICAHN SCHOOL MED MOUNT SINAI (US) 2022-07-13 EP disclosed