SCHEMBL21186394

SCHEMBL21186394

Cc1cc(Oc2ccc(N)cc2)n(C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TEAD4 Q15561 1/20 0.46
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
NLRP1 Q9C000 1/20 0.40
NOD2 Q9HC29 1/20 0.40
P2RX3 P56373 1/20 0.39
MAPK14 Q16539 1/20 0.39
MAOA P21397 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.38

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
SCHEMBL9670500 0.86 TDP1 (0.43) ALDH1A1SMN1; SMN2TEAD4MAPTTDP1
SCHEMBL10434826 0.83 SCN4A (0.45) ALDH1A1SMN1; SMN2TDP1POLBCYP3A4
SCHEMBL13242980 0.81 MEN1 (0.47) SMN1; SMN2MEN1KMT2AP2RX3LMNA
SCHEMBL28440651 0.81 MPO (0.44) P2RX3LMNA
SCHEMBL31220190 0.79 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MAPTPOLBTSHR
SCHEMBL6532552 0.78 ADORA2A (0.52) ALDH1A1SMN1; SMN2TEAD4MAPTTDP1
SCHEMBL30642745 0.76 BRD4 (0.39) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL28550245 0.76 HTT (0.56) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL15985660 0.76 P2RX3 (0.35) ALDH1A1POLBTSHRMEN1KMT2A
SCHEMBL14649868 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1MEN1KMT2A

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-2019141980-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-07-25 WO disclosed