SCHEMBL12669337

SCHEMBL12669337

Cc1cc(NCc2ccccc2)c(N)c(Br)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 1/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HTT P42858 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ BACE1 P56817 1/20 0.44

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
SCHEMBL1871934 0.85 BACE1 (0.46) SMN1; SMN2HSD17B10BACE1NCF1NPSR1
SCHEMBL7033224 0.82 CD38 (0.50) CD38SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL1871110 0.79 FABP4 (0.49) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL6617291 0.74 NQO2 (0.67) CD38SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL3058825 0.74 CYP2C19 (0.64) CD38SMN1; SMN2MEN1KMT2ACYP2C19
SCHEMBL20680443 0.73 CD38 (0.66) CD38MEN1KMT2ACYP2C19MAPT
SCHEMBL13779517 0.73 HTT (0.51) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL6128195 0.71 MEN1 (0.72) SMN1; SMN2MEN1KMT2ACYP1A2CYP2D6
SCHEMBL19539195 0.71 HTT (0.59) SMN1; SMN2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL9363750 0.71 MEN1 (0.61) CD38SMN1; SMN2MEN1KMT2ACYP2C19

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-2011057148-A1 COMPOUNDS AND COMPOSITIONS AS TLR-7 ACTIVITY MODULATORS IRM LLC (BM) 2011-05-12 — — WO disclosed
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