SCHEMBL27977085

SCHEMBL27977085

CCCCOc1ccc(CC(O)(c2ccccc2)c2ccccc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LTA4H P09960 2/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ EBP Q15125 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ S1PR4 O95977 1/20 0.38
▸ S1PR1 P21453 1/20 0.38

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
SCHEMBL27977121 0.79 TP53 (0.46) LMNAPPARGPPARASMN1; SMN2
SCHEMBL27977126 0.76 ALDH1A1 (0.45) MEN1KMT2AKDM4ESIGMAR1ALDH1A1
SCHEMBL14288446 0.76 SIGMAR1 (0.49) KDM4ESIGMAR1LMNABCL2SMN1; SMN2
SCHEMBL27977390 0.74 MEN1 (0.40) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11623430 0.73 HTR2A (0.44) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL8707174 0.72 EBP (0.56) MEN1KMT2ALTA4HCYP1A2CYP2C9
SCHEMBL10563678 0.70 LTA4H (0.53) MEN1KMT2ALTA4HCYP2C9NPC1
SCHEMBL16910242 0.69 SIGMAR1 (0.69) MEN1KMT2ALTA4HCYP1A2CYP2C9
SCHEMBL9933229 0.69 LTA4H (0.51) MEN1KMT2ALTA4HNPC1RAB9A
SCHEMBL28365758 0.69 LTA4H (0.51) MEN1KMT2ALTA4HNPC1RAB9A

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
CN-104140441-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 — — CN disclosed
CN-104140448-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 — — CN disclosed
CN-104140442-A Red organic electrophosphorescent material iridium metal complex, preparation method thereof, and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2014-11-12 — — CN disclosed
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