SCHEMBL24314181

SCHEMBL24314181

O=C(O)c1cc2c(F)cc(C3CC3)cc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
PIM1 P11309 5/20 0.41
CSNK2A1 P68400 4/20 0.41
CSNK2A2 P19784 3/20 0.41
CSNK2B P67870 3/20 0.41
CSNK2A3 Q8NEV1 3/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
AKR1B1 P15121 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
USP2 O75604 1/20 0.36
PTGS1 P23219 1/20 0.36
TBK1 Q9UHD2 5/20 0.36
IKBKE Q14164 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
SCHEMBL31723087 0.88 PPP5C (0.33) TBK1IKBKE
SCHEMBL31723088 0.88 PPP5C (0.33) TBK1IKBKE
SCHEMBL29587761 0.81 MCL1 (0.42) MCL1PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL24313926 0.81 MCL1 (0.42) MCL1PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL24313929 0.78 MCL1 (0.38) MCL1PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL24313729 0.78 MCL1 (0.36) MCL1PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL24313633 0.77 HPGD (0.44) KDM4EHPGDL3MBTL1PTGS1
SCHEMBL24313634 0.76 RAB9A (0.34) KDM4EMAPTHPGDHTTHSD17B10
SCHEMBL22588089 0.74 MCL1 (0.53) MCL1PIM1CSNK2A1CSNK2A2CSNK2B
SCHEMBL31723099 0.72 PTGER4 (0.36) KDM4EHPGDALDH1A1

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-2022081842-A1 SUBSTITUTED ACYL SULFONAMIDES FOR TREATING CANCER THE BROAD INSTITUTE, INC. (US) 2022-04-21 WO disclosed