SCHEMBL9426400

SCHEMBL9426400

CCOC(=O)NC1=C(NC(=O)OCC)C(NC(=O)OCC)=C(NC(=O)OCC)C(=O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ HPGD P15428 4/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL9689335 0.93 CYP1A2 (0.48) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10740378 0.82 ALDH1A1 (0.58) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16317912 0.82 CYP1A2 (0.43) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL30366327 0.80 ALDH1A1 (0.39) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10792423 0.80 NSD2 (0.51) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10740240 0.79 CYP1A2 (0.49) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
Diaziquone SCHEMBL4975 0.76 NSD2 (0.59) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
Diaziquone SCHEMBL16767645 0.74 NSD2 (0.60) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3363746 0.71 KMT2A (0.53) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11767621 0.71 KDM4E (0.70) KMT2ACYP1A2CYP2C9CYP2C19SMN1; SMN2

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-5290773-A Sulfonyl derivatives TAKAYANAGI TAKEO (US) 1994-03-01 — — US claimed
US-5290773-A Sulfonyl derivatives TAKAYANAGI TAKEO (US) 1994-03-01 — — US disclosed
Send feedback