SCHEMBL23925316

SCHEMBL23925316

Fc1cccc(CBr)c1N1CCSCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
CYP2A13 Q16696 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DPP4 P27487 3/20 0.34
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.31
C5AR1 P21730 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL23925319 0.85 ALDH1A1 (0.43) MEN1KMT2ACYP2A13KDM4EALDH1A1
SCHEMBL23925034 0.84 CYP2A13 (0.38) MEN1KMT2AGAACYP2A13KDM4E
SCHEMBL6647044 0.82 ALDH1A1 (0.41) MEN1KMT2AGAAKDM4EDPP4
SCHEMBL23536505 0.70 MAOB (0.39) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL28294053 0.68 ALDH1A1 (0.43) MEN1KMT2AGAACYP2A13KDM4E
SCHEMBL23925265 0.68 ALDH1A1 (0.43) MEN1KMT2ACYP2A13KDM4EALDH1A1
SCHEMBL23536171 0.68 MAOB (0.37) MEN1KMT2AGAAALDH1A1RAB9A
SCHEMBL23536026 0.68 MAOB (0.37) ALDH1A1
SCHEMBL23535998 0.67 MAOB (0.37) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL5907586 0.67 TAAR1 (0.50) MEN1KMT2AKDM4EALDH1A1NPC1

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-2021209490-A1 CYCLAMINEPHENYLAMINOQUINOLINES AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-10-21 WO disclosed