SCHEMBL19618486

SCHEMBL19618486

c1ccc(-c2cc(-c3ccc(-c4cc(-c5cc6ccccc6c6ccccc56)nc5ccc(-c6cc7ccccc7c7ccccc67)cc45)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
HPGD P15428 4/20 0.44
ELANE P08246 2/20 0.43
DHODH Q02127 1/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP11B1 P15538 1/20 0.42
HSP90AA1 P07900 1/20 0.42
TDP1 Q9NUW8 1/20 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
SCHEMBL19618461 1.00 ACACA (0.47) ACACAALDH1A1KDM4EMAPTLMNA
SCHEMBL19618453 0.95 ACACA (0.42) ACACAALDH1A1KDM4EMAPTLMNA
SCHEMBL19618506 0.93 ACACA (0.43) ACACAALDH1A1KDM4EMAPTLMNA
SCHEMBL19618603 0.91 ACACA (0.47) ACACAALDH1A1KDM4EMAPTLMNA
SCHEMBL19618602 0.91 ACACA (0.47) ACACAALDH1A1KDM4EMAPTLMNA
SCHEMBL19618450 0.89 ACACA (0.47) ACACAALDH1A1KDM4EMAPTLMNA
SCHEMBL19618455 0.89 ACACA (0.47) ACACAALDH1A1KDM4EMAPTLMNA
SCHEMBL19271321 0.89 CYP11B1 (0.47) ACACAALDH1A1MEN1KMT2AHPGD
SCHEMBL19618605 0.87 CYP1A1 (0.45) ACACAALDH1A1KDM4EMAPTLMNA
SCHEMBL23008094 0.87 CYP11B1 (0.46) ACACAALDH1A1MEN1KMT2AHPGD

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-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed