SCHEMBL29354577

SCHEMBL29354577

Cn1nc(C(=O)Nc2ccc(Cc3cccc(F)c3)cc2)ccc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 5/20 0.47
RAB9A P51151 4/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
FPR1 P21462 2/20 0.44
FPR2 P25090 1/20 0.44
FFAR1 O14842 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
NPC1 O15118 3/20 0.43
SCD O00767 2/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42

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
SCHEMBL21394919 1.00 TSHR (0.55) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL29353982 0.88 TSHR (0.54) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL21394917 0.88 TSHR (0.54) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL29356991 0.85 TSHR (0.47) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL21394641 0.85 TSHR (0.47) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL21384504 0.82 SNCA (0.48) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL29353720 0.82 SNCA (0.48) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL21394582 0.81 TSHR (0.47) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL29358116 0.81 TSHR (0.47) TSHRTDP1KDM4EMEN1KMT2A
SCHEMBL21395167 0.81 LMNA (0.60) TSHRMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed