SCHEMBL22204309

SCHEMBL22204309

Cn1ccc2c(Br)cc(C(=O)O)nc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
NOTUM Q6P988 1/20 0.37
MCL1 Q07820 6/20 0.36
ALOX15 P16050 3/20 0.35
TSHR P16473 2/20 0.35
HIF1A Q16665 1/20 0.35
CAMKK1 Q8N5S9 1/20 0.34
CAMKK2 Q96RR4 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTPN1 P18031 1/20 0.34
GPR35 Q9HC97 1/20 0.33
GLA P06280 1/20 0.33
ATM Q13315 1/20 0.33
ACMSD Q8TDX5 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL19932639 0.84 KMT2A (0.43) KDM4EALDH1A1SMN1; SMN2
SCHEMBL30971062 0.81 LMNA (0.39) RXFP1MCL1ALOX15TSHRHIF1A
SCHEMBL23800550 0.76 RXFP1 (0.41) RXFP1ALOX15TSHRKDM4EALDH1A1
SCHEMBL31268119 0.75 KCNN3 (0.35) TSHRKDM4EALDH1A1GLA
SCHEMBL23104589 0.75 KCNN3 (0.35) TSHRKDM4EALDH1A1GLA
SCHEMBL23809379 0.75 NOTUM (0.38) NOTUMALOX15TSHRCAMKK1CAMKK2
SCHEMBL21439147 0.74 L3MBTL1 (0.46) RXFP1
SCHEMBL30503520 0.73 HRH4 (0.34)
SCHEMBL26105826 0.73 HRH4 (0.34)
SCHEMBL19932596 0.72 CHRM1 (0.47)

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-3507289-B1 MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS SUVEN LIFE SCIENCES LTD (IN) 2020-07-15 EP disclosed