SCHEMBL22136805

SCHEMBL22136805

c1ccc(-c2nc(-c3cc(-c4cccnc4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.42
▸ CYP19A1 P11511 3/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ CYP17A1 P05093 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39

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
SCHEMBL22136487 0.97 CYP19A1 (0.45) PGRCYP19A1PIM1PIM2ALDH1A1
SCHEMBL22136764 0.96 CYP19A1 (0.42) PGRCYP19A1PIM1PIM2ALDH1A1
SCHEMBL22136536 0.96 PGR (0.42) PGRCYP19A1PIM1PIM2ALDH1A1
SCHEMBL19166064 0.96 PGR (0.46) PGRCYP19A1PIM1PIM2ALDH1A1
SCHEMBL19165185 0.96 CYP19A1 (0.44) PGRCYP19A1PIM1PIM2ALDH1A1
SCHEMBL22136618 0.96 CYP19A1 (0.46) PGRCYP19A1PIM1PIM2ALDH1A1
SCHEMBL19166730 0.94 DHODH (0.46) PGRCYP19A1PIM1PIM2ALDH1A1
SCHEMBL19166667 0.94 CYP19A1 (0.46) PGRCYP19A1PIM1PIM2ALDH1A1
SCHEMBL22136493 0.94 CYP19A1 (0.48) PGRCYP19A1PIM1PIM2ALDH1A1
SCHEMBL22136557 0.94 CYP19A1 (0.48) PGRCYP19A1PIM1PIM2ALDH1A1

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
WO-2020130724-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 두산솔루스 주식회사 2020-06-25 — — WO disclosed
Send feedback