SCHEMBL21100601

SCHEMBL21100601

CC(=O)N1CCC[C@H]1C(=O)NCCCc1ccc(-c2cc(-c3ccc(C(=O)NCCCc4ccc(-c5ccccc5F)cc4)[nH]3)ccc2F)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.44
P2RX7 Q99572 1/20 0.40
POLB P06746 1/20 0.39
TNKS O95271 2/20 0.38
CPA1 P15085 1/20 0.38
CPA2 P48052 1/20 0.38
CPA4 Q9UI42 1/20 0.38
MMP3 P08254 3/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL21100499 0.88 FKBP1A (0.44) FKBP1AP2RX7POLBTNKSCPA1
SCHEMBL29411452 0.87 FKBP1A (0.57) FKBP1AP2RX7POLB
SCHEMBL21045114 0.87 FKBP1A (0.57) FKBP1AP2RX7POLB
SCHEMBL21045115 0.87 FKBP1A (0.57) FKBP1AP2RX7POLB
SCHEMBL21045499 0.69 ALDH1A1 (0.48) POLB
SCHEMBL29411602 0.69 ALDH1A1 (0.48) POLB
SCHEMBL8104234 0.68 POLB (0.65) FKBP1APOLBCPA1CPA2CPA4
SCHEMBL29411545 0.67 LMNA (0.51)
SCHEMBL21045397 0.67 LMNA (0.51)
SCHEMBL21045288 0.67 MAPT (0.51)

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-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed