SCHEMBL21204233

SCHEMBL21204233

C/N=C(\c1ccccc1)c1ccccc1Nc1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
MEN1 O00255 1/20 0.46
AKR1B10 O60218 1/20 0.46
TRPA1 O75762 1/20 0.46
ABCB11 O95342 1/20 0.46
DHFR P00374 1/20 0.46
MPO P05164 1/20 0.46
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
AKR1B1 P15121 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C1 Q04828 1/20 0.46

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
SCHEMBL29834970 0.74 AKR1C3 (0.77) HPGDPOLBLMNACYP1A2CYP2C9
SCHEMBL1186480 0.74 AKR1C3 (0.77) HPGDPOLBLMNACYP1A2CYP2C9
SCHEMBL13475307 0.73 CES2 (0.41) HPGDPOLBLMNAKMT2ARAB9A
SCHEMBL183017 0.72 HTT (0.59) HPGDLMNAMEN1PTGS1PTGS2
SCHEMBL29511793 0.72 HTT (0.59) HPGDLMNAMEN1PTGS1PTGS2
SCHEMBL17774347 0.71 DHODH (0.46) HPGDPOLBLMNAMEN1KMT2A
Bicarbonate SCHEMBL31082205 0.70 RAB9A (0.61) HPGDPOLBLMNACYP1A2CYP2C9
SCHEMBL3897223 0.70 ALDH1A1 (0.53) HPGDPOLBLMNACYP1A2CYP2C9
SCHEMBL5321483 0.70 AKR1C3 (0.57) HPGDPOLBLMNACYP1A2CYP2C9
SCHEMBL862271 0.70 ALDH1A1 (0.45) HPGDLMNACYP1A2CYP2C9CYP3A4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3858945-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2023-11-29 EP disclosed
EP-4206210-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2023-07-05 EP disclosed
EP-4019526-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2022-06-29 EP disclosed
EP-3517540-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2022-02-23 EP disclosed
EP-3613751-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2020-02-26 EP disclosed
EP-3539959-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-09-18 EP disclosed
EP-3517540-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-07-31 EP disclosed