SCHEMBL29469802

SCHEMBL29469802

CC1(C)CCN1c1cc(F)c2cc(C(=O)O)oc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
CSNK2A1 P68400 4/20 0.35
PIM1 P11309 4/20 0.35
CSNK2A2 P19784 3/20 0.35
CSNK2B P67870 3/20 0.35
CSNK2A3 Q8NEV1 3/20 0.35
NR1H4 Q96RI1 1/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
AKR1B1 P15121 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
USP2 O75604 1/20 0.31
PTGS1 P23219 1/20 0.31

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
SCHEMBL24333333 1.00 MCL1 (0.35) MCL1CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL24333616 0.84 AKR1B1 (0.41) MAPTAKR1B1
SCHEMBL24333789 0.81 MCHR1 (0.32) KDM4EMAPTALDH1A1HSD17B10
SCHEMBL24333788 0.80 HPGD (0.39) MAPTHPGDPTGS1
SCHEMBL29469875 0.80 HPGD (0.39) MAPTHPGDPTGS1
SCHEMBL24334203 0.80 MCL1 (0.39) MCL1CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL24334448 0.77 CCR3 (0.32)
SCHEMBL29469611 0.76 AGTR2 (0.37) KDM4EALDH1A1HPGD
SCHEMBL24334197 0.75 MCL1 (0.35) MCL1CSNK2A1PIM1CSNK2A2CSNK2B
SCHEMBL29469829 0.75 MCL1 (0.35) MCL1CSNK2A1PIM1CSNK2A2CSNK2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4229048-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER The Broad Institute, Inc. (US) 2023-08-23 EP disclosed
WO-2022081807-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed