SCHEMBL9532230

SCHEMBL9532230

CCOC(=NC#N)c1cccnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.44
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 1/20 0.37
CYP2D6 P10635 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL9532225 1.00 CYP2C19 (0.44) CYP2C19POLBLMNASMN1; SMN2ATM
SCHEMBL2828454 0.76 SMN1; SMN2 (0.36) CYP2C19POLBLMNASMN1; SMN2ATM
SCHEMBL2828455 0.76 SMN1; SMN2 (0.36) CYP2C19POLBLMNASMN1; SMN2ATM
SCHEMBL9531671 0.74 KDM4E (0.43) CYP2C19LMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL15215855 0.73 CYP2C19 (0.49) CYP2C19POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL20599367 0.73 CYP2C19 (0.49) CYP2C19POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL49913 0.73 POLB (0.66) CYP2C19POLBLMNASMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL3584951 0.72 POLB (0.64) CYP2C19POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL9531037 0.71 L3MBTL1 (0.43) POLBLMNASMN1; SMN2L3MBTL1CYP1A2
SCHEMBL9531042 0.71 L3MBTL1 (0.43) POLBLMNASMN1; SMN2L3MBTL1CYP1A2

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
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed