SCHEMBL19993384

SCHEMBL19993384

N#Cc1ccc(-c2ccc(Cc3ccc(-c4ccc(C#N)c(I)c4I)cc3)cc2)c(I)c1I

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.33
ESR2 Q92731 1/20 0.33
CHKA P35790 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
SAE1 Q9UBE0 1/20 0.30
UBA2 Q9UBT2 1/20 0.30
SNCA P37840 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
SCHEMBL19993339 0.79 SNCA (0.35) LOXL2SNCA
SCHEMBL19993467 0.76 MAOB (0.30)
SCHEMBL22621241 0.76
SCHEMBL22621129 0.74 DYRK1A (0.30)
SCHEMBL19993380 0.73 RXRA (0.40) CYP19A1CYP11B1CYP11B2RXRARXRB
SCHEMBL19993402 0.72 CYP17A1 (0.41) CYP19A1ESR2CYP11B1CYP11B2
SCHEMBL19993381 0.70 SAE1 (0.39) CYP19A1LOXL2CYP11B1CYP11B2SAE1
SCHEMBL19993340 0.70 AR (0.32)
SCHEMBL19993389 0.68 LOXL2 (0.38) LOXL2CYP11B2SAE1UBA2
SCHEMBL19993382 0.67 LOXL2 (0.43) CYP19A1LOXL2CYP11B1CYP11B2SAE1

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-3512920-B1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
WO-2018050573-A1 LIQUID CRYSTAL MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-22 WO disclosed