SCHEMBL31283045

SCHEMBL31283045

CC(C)(C)c1ccc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 3/20 0.49
MAPK1 P28482 3/20 0.49
RAB9A P51151 3/20 0.49
GLA P06280 1/20 0.49
CASP3 P42574 1/20 0.49
HTT P42858 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
CYP19A1 P11511 2/20 0.43
AAK1 Q2M2I8 1/20 0.42
GPR35 Q9HC97 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 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
SCHEMBL26096440 1.00 ALDH1A1 (0.49) ALDH1A1NPC1MAPK1RAB9AGLA
SCHEMBL6074349 0.85 ALDH1A1 (0.50) ALDH1A1NPC1MAPK1RAB9AGLA
SCHEMBL30210346 0.85 ALDH1A1 (0.50) ALDH1A1NPC1MAPK1RAB9AGLA
SCHEMBL6222813 0.82 TSHR (0.55) ALDH1A1NPC1MAPK1RAB9AGLA
SCHEMBL26695927 0.82 CYP19A1 (0.38) ALDH1A1NPC1MAPK1RAB9AGLA
SCHEMBL30733364 0.82 CYP19A1 (0.38) ALDH1A1NPC1MAPK1RAB9AGLA
SCHEMBL6141188 0.81 CYP19A1 (0.51) ALDH1A1MAPK1CYP19A1MAPTTDP1
SCHEMBL30466390 0.81 CYP19A1 (0.51) ALDH1A1MAPK1CYP19A1MAPTTDP1
SCHEMBL6640596 0.81 MAPT (0.55) ALDH1A1NPC1MAPK1RAB9AGLA
SCHEMBL13945797 0.79 ALDH1A1 (0.50) ALDH1A1NPC1MAPK1RAB9AGLA

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-119156040-A Organic electroluminescent device 北京夏禾科技有限公司 2024-12-17 CN disclosed
CN-119143807-A Organic electroluminescent material and device thereof 北京夏禾科技有限公司 2024-12-17 CN disclosed