SCHEMBL20568673

SCHEMBL20568673

CCC(=O)Nc1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.68
GAA P10253 1/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.53
NOTUM Q6P988 1/20 0.53
TMPRSS4 Q9NRS4 2/20 0.50
MAPT P10636 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
P2RX4 Q99571 1/20 0.47
P2RX7 Q99572 1/20 0.47

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
SCHEMBL14263848 0.89 ALDH1A1 (0.65) ACP1ALDH1A1LMNAMAPTTACR1
SCHEMBL13960110 0.83 ALDH1A1 (0.55) ACP1ALDH1A1LMNATMPRSS4MAPT
SCHEMBL449135 0.82 ACP1 (0.60) ACP1LMNANOTUMTMPRSS4MAPT
SCHEMBL20568446 0.81 ALDH1A1 (0.54) ACP1ALDH1A1LMNAMAPTTACR1
SCHEMBL11786916 0.80 ACP1 (0.61) ACP1LMNANOTUMTMPRSS4MAPT
SCHEMBL1925848 0.80 ACP1 (0.61) ACP1ALDH1A1LMNANOTUMTMPRSS4
SCHEMBL12513693 0.79 MAPT (0.78) ACP1LMNANOTUMTMPRSS4MAPT
SCHEMBL13130515 0.79 ALDH1A1 (0.58) ACP1GAAALDH1A1LMNAMAPT
SCHEMBL5448110 0.79 ACP1 (0.60) ACP1LMNANOTUMTMPRSS4MAPT
Fluoride SCHEMBL11786925 0.79 ACP1 (0.60) ACP1ALDH1A1LMNANOTUMTMPRSS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112601752-A Novel inhibitors of MAP4K1 伊克诺斯科学公司 2021-04-02 CN disclosed
EP-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO disclosed