SCHEMBL28608570

SCHEMBL28608570

CC(C)(C)c1ccc(C#N)c(C#N)c1Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 12/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIN1 Q13526 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL1501525 0.87 AR (0.36) ARCYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL9747347 0.78 POLB (0.44) ARCYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL8975491 0.77 IMPDH2 (0.50) ARCYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL28137438 0.76 MEN1 (0.39) ARCYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL31650789 0.76 MEN1 (0.39) CYP1A2CYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL3173635 0.76 MEN1 (0.39) CYP1A2CYP2C19SMN1; SMN2MEN1KMT2A
SCHEMBL27742306 0.75 MEN1 (0.51) ARCYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL6419662 0.73 KMT2A (0.36) ARCYP1A2CYP2C19SMN1; SMN2MEN1
SCHEMBL8620405 0.71 NAMPT (0.41) ARSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8623519 0.70 LTA4H (0.48) CYP1A2CYP2C19SMN1; SMN2MEN1KMT2A

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-113136112-B Near infrared absorbing dyes of broad spectral band 上海昀通电子科技有限公司 2023-04-28 CN disclosed
CN-113136112-A Near infrared absorbing dye with wide spectral band 上海昀通电子科技有限公司 2021-07-20 CN disclosed