SCHEMBL13760020

SCHEMBL13760020

Cc1cc(C)cc(-c2cccc(I)c2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ BRD9 Q9H8M2 1/20 0.36
▸ BRD7 Q9NPI1 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ PDCD1 Q15116 2/20 0.33
▸ CD274 Q9NZQ7 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ METAP2 P50579 1/20 0.31
▸ RXRA P19793 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
SCHEMBL20909336 0.83 BRD9 (0.42) ACHEBRD9BRD7BRD4CREBBP
SCHEMBL21172870 0.82 CD274 (0.47) PDCD1CD274ALDH1A1
SCHEMBL28322835 0.82 ACHE (0.37) ACHEBRD9BRD7BRD4CREBBP
SCHEMBL24051152 0.78 PDCD1 (0.53) PDCD1CD274ALDH1A1
SCHEMBL26007732 0.78 RAPGEF4 (0.42) ACHEBRD9BRD7BRD4CREBBP
SCHEMBL15593264 0.76 HTR7 (0.41) BRD4CREBBPPDCD1CD274MAPT
SCHEMBL10304866 0.73 PTGS2 (0.42) ACHEPDCD1CD274
SCHEMBL10304846 0.72 S1PR4 (0.41) ACHEMAPTALDH1A1
SCHEMBL27899053 0.71 ACHE (0.43) ACHEBRD9BRD7BRD4CREBBP
SCHEMBL16871690 0.71 ALDH1A1 (0.43) ACHEBRD9BRD7BRD4CREBBP

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-2085450-A1 Novel organic electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-08-05 — — EP disclosed
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