SCHEMBL21074256

SCHEMBL21074256

Cc1ccccc1N1C=CN(c2c(C)cccc2C)C1C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
MGLL Q99685 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRB1 P08588 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
TSHR P16473 2/20 0.32
ACHE P22303 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ATM Q13315 1/20 0.32
ELANE P08246 1/20 0.32
ESR1 P03372 1/20 0.31

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
SCHEMBL17169610 1.00 MAPT (0.37) MAPTALDH1A1HPGDMGLLSMN1; SMN2
SCHEMBL19725777 0.90 ALDH1A1 (0.42) MAPTALDH1A1HPGDMGLLSMN1; SMN2
SCHEMBL16769707 0.89 ADRB1 (0.33) MAPTALDH1A1HPGDADRB1MEN1
SCHEMBL25100822 0.88 CYP2A6 (0.36) ALDH1A1MEN1KMT2AKDM4EALOX12
SCHEMBL23015446 0.87 ALDH1A1 (0.42) ALDH1A1MGLLTSHRESR1
SCHEMBL17169612 0.85 TSHR (0.40) MAPTALDH1A1HPGDMGLLTSHR
SCHEMBL19449636 0.85 TSHR (0.40) MAPTALDH1A1HPGDMGLLTSHR
SCHEMBL20146595 0.85 TSHR (0.40) MAPTALDH1A1HPGDMGLLTSHR
SCHEMBL17169624 0.84 HTR7 (0.39) MAPTALDH1A1MGLLMEN1KMT2A
SCHEMBL17169522 0.83 HSD17B10 (0.38) ALDH1A1MEN1KMT2ATSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3492480-B1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORP (US) 2021-10-20 EP disclosed
EP-3750897-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2020-12-16 EP disclosed
EP-3492480-A2 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2019-06-05 EP disclosed