SCHEMBL24328583

SCHEMBL24328583

Cc1cccc2c1N(S(=O)(=O)CF)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.43
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL24326990 0.88 MAPT (0.46) ALOX12MEN1KMT2ACNR2ALDH1A1
SCHEMBL24326991 0.84 ALOX12 (0.42) ALOX12MEN1KMT2ACNR2ALDH1A1
SCHEMBL24327001 0.81 KMT2A (0.63) ALOX12MEN1KMT2AALDH1A1MAPT
SCHEMBL24326985 0.81 ALOX12 (0.40) ALOX12MEN1KMT2ACNR2ALDH1A1
SCHEMBL14591313 0.81 ALOX12 (0.47) ALOX12MEN1KMT2ACNR2ALDH1A1
SCHEMBL24326992 0.79 CNR2 (0.41) ALOX12MEN1KMT2ACNR2ALDH1A1
SCHEMBL24328575 0.77 ALOX12 (0.44) ALOX12MEN1KMT2ACNR2ALDH1A1
SCHEMBL24326993 0.77 ALOX12 (0.44) ALOX12MEN1KMT2ACNR2ALDH1A1
SCHEMBL24328580 0.77 KDM4E (0.55) ALOX12MEN1KMT2ACNR2ALDH1A1
SCHEMBL24328578 0.77 ALOX12 (0.44) ALOX12MEN1KMT2ACNR2ALDH1A1

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
WO-2022063106-A1 INDOLINE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BEIGENE, LTD. (KY) 2022-03-31 WO disclosed