SCHEMBL21131886

SCHEMBL21131886

c1ccc(-c2cc(-c3ccccc3)nc(-c3c(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc4ccccc34)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
HPGD P15428 9/20 0.54
ALDH1A1 P00352 8/20 0.54
MAPT P10636 8/20 0.54
NTSR1 P30989 1/20 0.50
KDM4E B2RXH2 5/20 0.48
LMNA P02545 3/20 0.48
GLA P06280 1/20 0.48
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
ACACA Q13085 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL18819409 1.00 MEN1 (0.54) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL20404914 1.00 MEN1 (0.54) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL18819270 0.98 MEN1 (0.53) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL26509151 0.98 MEN1 (0.53) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL26509150 0.98 MEN1 (0.53) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL18965351 0.95 MEN1 (0.56) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL26509228 0.94 MEN1 (0.49) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL26509230 0.94 MEN1 (0.49) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL20404923 0.94 CYP1A1 (0.52) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL21131887 0.94 MEN1 (0.54) MEN1KMT2AHPGDALDH1A1MAPT

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
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 US disclosed