SCHEMBL23937622

SCHEMBL23937622

CC1(C)c2ccc(-c3ccc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)cc3)cc2-c2ccc(C#N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.38
▸ CYP11B2 P19099 2/20 0.38
▸ CYP17A1 P05093 1/20 0.38
▸ PDK2 Q15119 3/20 0.37
▸ PGR P06401 3/20 0.37
▸ KDM1A O60341 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL23937397 0.94 CYP11B1 (0.40) CYP11B1CYP11B2CYP17A1PDK2PGR
SCHEMBL23937554 0.93 PDK2 (0.38) CYP11B1CYP11B2CYP17A1PDK2PGR
SCHEMBL23937413 0.90 PGR (0.42) PDK2PGRMEN1ALDH1A1LMNA
SCHEMBL23937399 0.90 PGR (0.42) PDK2PGRMEN1ALDH1A1LMNA
SCHEMBL23937412 0.90 PGR (0.42) PDK2PGRMEN1ALDH1A1LMNA
SCHEMBL23937529 0.90 PGR (0.42) PDK2PGRMEN1ALDH1A1LMNA
SCHEMBL23937551 0.89 PGR (0.39) CYP11B1CYP11B2CYP17A1PDK2PGR
SCHEMBL23937625 0.89 PGR (0.41) CYP11B1CYP11B2CYP17A1PDK2PGR
SCHEMBL23937395 0.89 CYP1A2 (0.42) PDK2PGRMEN1ALDH1A1LMNA
SCHEMBL23937404 0.89 PGR (0.43) PDK2PGRMEN1ALDH1A1LMNA

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-3896061-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Solus Advanced Materials Co., Ltd. (KR) 2021-10-20 — — EP disclosed
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