SCHEMBL17125535

SCHEMBL17125535

Cn1c2ccccc2c2cc(-c3ccc(-c4nnc(-c5ccc(-c6ccc7c(c6)c6ccccc6n7Cc6ccccc6)cc5)o4)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.49
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ P2RX4 Q99571 1/20 0.42
▸ TSPO P30536 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ PLA2G2A P14555 1/20 0.40
▸ MAPK1 P28482 1/20 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
SCHEMBL17125540 0.94 CYP19A1 (0.55) CYP19A1ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL17125537 0.91 MAPT (0.52) CYP19A1ALDH1A1KDM4EHPGDPOLB
SCHEMBL12680689 0.88 NPC1 (0.55) RXRARXRBALDH1A1SMN1; SMN2KDM4E
SCHEMBL13550472 0.88 HPGD (0.50) RXRARXRBALDH1A1SMN1; SMN2KDM4E
SCHEMBL17125522 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1CYP1A2
SCHEMBL16848583 0.85 CYP19A1 (0.60) CYP19A1RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL16848588 0.85 CYP19A1 (0.60) CYP19A1RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL17125550 0.84 CYP19A1 (0.58) CYP19A1RXRARXRBALDH1A1SMN1; SMN2
SCHEMBL24714161 0.84 CYP19A1 (0.57) CYP19A1ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL13127201 0.83 NPC1 (0.52) RXRARXRBALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10240084-B2 Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications MOLECULAR GLASSES, INC. (US) 2019-03-26 — — US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 — — US disclosed
US-20150275076-A1 Non-crystallizable Pi-conjugated Molecular Glass Mixtures, Charge Transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications Molaire Consulting 2015-10-01 — — US disclosed
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