SCHEMBL28429831

SCHEMBL28429831

CC(CC(C)(C)C)c1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PYCR1 P32322 1/20 0.38
HTR2A P28223 1/20 0.36
ALOX5 P09917 1/20 0.35
CYP2A6 P11509 1/20 0.35
MAOA P21397 1/20 0.34
FPR2 P25090 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5918492 0.89 RIPK1 (0.46) RIPK1
SCHEMBL15854207 0.78 ESR1 (0.55) RIPK1CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL8373596 0.78 ESR1 (0.55) RIPK1CYP1A2ALDH1A1CYP3A4CYP2D6
SCHEMBL11910301 0.78 ADRB2 (0.46) RIPK1ALDH1A1HPGDHTR2AMEN1
SCHEMBL17378857 0.77 CYP1A2 (0.33) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL5664123 0.77 RIPK1 (0.63) RIPK1HTR2A
SCHEMBL13527056 0.77 IGF1R (0.41) RIPK1CYP1A2MEN1KMT2A
SCHEMBL16887734 0.77 DPP4 (0.41) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL12361552 0.77 ALDH1A1 (0.38) CYP1A2ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL24533708 0.75 GRIA4 (0.38) RIPK1CYP2D6CYP2C9LMNA

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-111362833-A Dianthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2020-07-03 CN claimed
CN-111362833-A Dianthracene D-delta-A type deep blue organic fluorescent material and preparation method and application thereof 陕西师范大学 2020-07-03 CN disclosed