SCHEMBL8920155

SCHEMBL8920155

O=c1[nH]c2cc(Cl)ccc2c(O)c1SCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49

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
SCHEMBL8920133 0.94 KDM4E (0.51) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8923489 0.93 KDM4E (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8920123 0.89 KDM4E (0.52) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8921390 0.85 KDM4E (0.67) KDM4EALDH1A1MEN1KMT2ACYP1A2
SCHEMBL8923373 0.84 KDM4E (0.74) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8922324 0.84 KDM4E (0.47) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8921443 0.82 MAPT (0.67) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8921130 0.82 MAPT (0.50) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL8921993 0.81 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2A
SCHEMBL7461224 0.80 GRIN2D (0.53) KDM4EMEN1KMT2ACYP1A2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US claimed
US-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed