SCHEMBL30455210

SCHEMBL30455210

COc1cc2nc(Cl)nc(N(C)C)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.56
KDR P35968 4/20 0.56
KDM1A O60341 1/20 0.52
RCOR1 Q9UKL0 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
SMARCA2 P51531 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CSF1R P07333 2/20 0.46
EHMT2 Q96KQ7 1/20 0.45

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
SCHEMBL3320057 1.00 EGFR (0.56) EGFRKDRKDM1ARCOR1SMN1; SMN2
SCHEMBL14952546 0.87 TLR7 (0.49) EGFRKDRKDM1ARCOR1SMN1; SMN2
SCHEMBL18941740 0.83 TLR9 (0.54) EGFRKDRKDM1ARCOR1CSF1R
SCHEMBL3122320 0.80 EGFR (0.64) EGFRKDRCSF1R
SCHEMBL3112154 0.80 EGFR (0.68) EGFRKDRCSF1R
SCHEMBL7268508 0.79 EGFR (0.52) EGFRKDRKDM1ARCOR1SMN1; SMN2
SCHEMBL29532044 0.79 SMN1; SMN2 (0.56) EGFRKDRSMN1; SMN2ALDH1A1HTT
SCHEMBL294809 0.79 SMN1; SMN2 (0.56) EGFRKDRSMN1; SMN2ALDH1A1HTT
SCHEMBL938619 0.78 EGFR (0.55) EGFRKDRKDM1AALDH1A1HTT
SCHEMBL16140738 0.77 ALDH1A1 (0.40) EGFRKDRKDM1ASMN1; SMN2ALDH1A1

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-2023121429-A1 NOVEL COMPOUND FOR IMPROVING SLEEP OR USE THEREOF 아주대학교산학협력단 2023-06-29 WO disclosed