SCHEMBL28982007

SCHEMBL28982007

C=C(C)C(=O)OCC.CN(C)Cc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
NPY1R P25929 1/20 0.43
MAPK1 P28482 1/20 0.43
NPY2R P49146 1/20 0.43
CDC25B P30305 2/20 0.42
CDYL Q9Y232 1/20 0.42
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25C P30307 1/20 0.40
MAPT P10636 1/20 0.40

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
Bromide SCHEMBL28981984 0.99 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19KMT2AKDM4E
Hydrochloric Acid SCHEMBL28981997 0.99 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19KMT2AKDM4E
SCHEMBL28981982 0.89 CDYL (0.49) CYP1A2CYP2D6CYP2C19KMT2AKDM4E
Bromide SCHEMBL28981990 0.88 CDYL (0.48) CYP1A2CYP2D6CYP2C19KMT2AKDM4E
Hydrochloric Acid SCHEMBL28981998 0.88 CDYL (0.48) CYP1A2CYP2D6CYP2C19KMT2AKDM4E
SCHEMBL1130685 0.79 KMT2A (0.50) KMT2AMEN1TDP1SIRT5
Naphthalene SCHEMBL27457568 0.79 ALDH1A1 (0.54) CYP1A2KMT2AALDH1A1HPGDMEN1
SCHEMBL31467476 0.77 CDYL (0.49) KMT2AKDM4EALDH1A1CDYLMEN1
SCHEMBL6835387 0.77 KMT2A (0.56) KMT2AKDM4EAPOBEC3AAPOBEC3GALDH1A1
SCHEMBL68440 0.77 CDYL (0.49) KMT2AKDM4EALDH1A1CDYLMEN1

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
CN-115916695-B Carbon material dispersion 大日精化工业株式会社 2025-02-11 CN disclosed
CN-115916695-A Carbon material dispersion liquid 大日精化工业株式会社 2023-04-04 CN disclosed