SCHEMBL29612191

SCHEMBL29612191

CC(=O)c1c(-c2ccccc2)c2cc(F)ccc2[nH]c1=O

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 16/20 0.64
MAP2 P11137 1/20 0.62
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CSF1R P07333 1/20 0.55

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
SCHEMBL19952854 1.00 PADI4 (0.64) PADI4MAP2MEN1KMT2ACSF1R
SCHEMBL19952864 0.89 PADI4 (0.66) PADI4MAP2
Lithium Ion SCHEMBL28759891 0.86 PADI4 (0.62) PADI4MAP2
SCHEMBL29612310 0.85 PADI4 (0.73) PADI4MAP2MEN1KMT2ACSF1R
SCHEMBL19952906 0.85 PADI4 (0.73) PADI4MAP2MEN1KMT2ACSF1R
SCHEMBL14304852 0.85 MAP2 (0.75) PADI4MAP2MEN1KMT2ACSF1R
SCHEMBL16112039 0.84 MEN1 (0.76) PADI4MAP2MEN1KMT2ACSF1R
SCHEMBL30043560 0.84 MAP2 (0.74) PADI4MAP2CSF1R
SCHEMBL6059495 0.84 MAP2 (0.74) PADI4MAP2CSF1R
SCHEMBL29612100 0.83 KDM4E (0.68) PADI4MAP2

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
CN-110248934-B Heteroaryl PAD4 inhibitors 帕德罗科治疗公司 2022-05-24 CN disclosed