SCHEMBL20220310

SCHEMBL20220310

C1=C(c2ccccc2)C=C(c2ccccc2)N[C@@H]1c1ccc(-c2ccc(Sc3ccc(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.38
▸ KMT2A Q03164 10/20 0.38
▸ MAPT P10636 8/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 7/20 0.38
▸ NTSR1 P30989 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.34
▸ LMNA P02545 4/20 0.34
▸ GLA P06280 1/20 0.34
▸ ADORA2A P29274 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CTRC Q99895 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ TDP1 Q9NUW8 3/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ RECQL P46063 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
SCHEMBL5582405 0.91 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21882460 0.78 MEN1 (0.38) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL18436106 0.76 CYP19A1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL22838126 0.76 CYP19A1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL25985522 0.76 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21882484 0.76 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL25985521 0.76 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL25985523 0.76 MEN1 (0.61) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL23334400 0.75 CYP19A1 (0.35) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL21882421 0.74 MEN1 (0.63) MEN1KMT2AMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3330265-A1 COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2018-06-06 — — EP disclosed
Send feedback