SCHEMBL21708609

SCHEMBL21708609

CCCC(F)OC(=O)CCC(C#N)c1c(F)cccc1OC(F)F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.31
ADRB1 P08588 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL21708545 0.90 KMT2A (0.33) KMT2AADRB1
SCHEMBL21708723 0.85 RIPK1 (0.36) KMT2AMEN1KDM4EGAA
SCHEMBL21708654 0.84 MEN1 (0.38) KMT2AMEN1TSHRRAB9AKDM4E
SCHEMBL21708524 0.83 CTSS (0.32)
SCHEMBL21656647 0.83 KMT2A (0.34) KMT2AMEN1TSHRPOLBKDM4E
SCHEMBL21632010 0.82 KMT2A (0.39) KMT2APOLBKDM4EGAA
SCHEMBL21708580 0.82 KMT2A (0.34) KMT2AMEN1TSHRPOLBRAB9A
SCHEMBL21708781 0.81 KMT2A (0.39) KMT2ATSHRPOLBADRB1
SCHEMBL21708561 0.81 CCR1 (0.30) KMT2AMEN1
SCHEMBL21708518 0.80 TAS1R3 (0.32) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609869-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed
EP-3609870-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF Bayer Aktiengesellschaft (DE) 2020-02-19 EP disclosed