SCHEMBL21900390

SCHEMBL21900390

N#Cc1ccc(Cc2ccc(C=O)c(Br)c2)cc1-n1nnc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 4/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ RECQL P46063 1/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ KCNMA1 Q12791 1/20 0.36
▸ PTK2 Q05397 2/20 0.34
▸ CNR1 P21554 1/20 0.34

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
SCHEMBL22561764 0.77 GRM2 (0.52) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL28474799 0.69 CALM1 (0.44) KDM4ELMNAKMT2AMAPTMEN1
SCHEMBL16879473 0.69 GRM2 (0.55) TSHRKCNMA1PTK2GLA
SCHEMBL24266819 0.69 KDM4E (0.52) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL16491892 0.64 KCNMA1 (0.64) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL19410282 0.63 KCNMA1 (0.59) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL26227380 0.63 MAPT (0.51) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL16382186 0.63 IDO1 (0.43) TSHRNPSR1KDM4ELMNASMN1; SMN2
SCHEMBL9996132 0.63 KCNMA1 (0.42) POLBTSHRNPSR1KDM4ELMNA
SCHEMBL24516995 0.63 POLB (0.50) POLBTSHRNPSR1KDM4ELMNA

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-2020081829-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-04-23 — — WO disclosed
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