SCHEMBL20889355

SCHEMBL20889355

C[C@H](c1cccc2c1CCC2)C(N)C(=N)OC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.34
CHRM1 P11229 8/20 0.34
RRM1 P23921 7/20 0.34
RRM2B Q7LG56 7/20 0.34
RXRA P19793 4/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCL2L1 Q07817 1/20 0.32
BAD Q92934 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MEN1 O00255 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL20889358 1.00 CHRM2 (0.34) CHRM2CHRM1RRM1RRM2BRXRA
SCHEMBL22507756 1.00 CHRM2 (0.34) CHRM2CHRM1RRM1RRM2BRXRA
SCHEMBL20889416 0.98 CHRM2 (0.35) CHRM2CHRM1RRM1RRM2BRXRA
SCHEMBL22507895 0.82 CHRM2 (0.33) CHRM2CHRM1RRM1RRM2B
SCHEMBL19682751 0.80 RXRA (0.40) CHRM2CHRM1RRM1RRM2BRXRA
SCHEMBL20889377 0.80 RXRA (0.40) CHRM2CHRM1RRM1RRM2BRXRA
SCHEMBL20889250 0.78 NLRP3 (0.32) CHRM2CHRM1RRM1RRM2BALDH1A1
SCHEMBL19682589 0.78 BCL2L1 (0.41) CHRM2CHRM1RRM1RRM2BRXRA
SCHEMBL20889215 0.78 BCL2L1 (0.41) CHRM2CHRM1RRM1RRM2BRXRA
SCHEMBL19682588 0.78 BCL2L1 (0.41) CHRM2CHRM1RRM1RRM2BRXRA

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
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 EP disclosed