SCHEMBL14279418

SCHEMBL14279418

C(=C/c1cccc2ccccc12)\c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ CHAT P28329 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ GAA P10253 1/20 0.50
▸ GRM4 Q14833 1/20 0.47
▸ CYP1B1 Q16678 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A1 P04798 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPY1R P25929 1/20 0.46
▸ NPY2R P49146 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3162895 1.00 RAB9A (0.59) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL21635044 0.84 RAB9A (0.53) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL29673969 0.83 CHAT (0.49) RAB9ACHATMAPTMAPK1KDM4E
SCHEMBL318015 0.83 CHAT (0.49) RAB9ACHATMAPTMAPK1KDM4E
SCHEMBL318014 0.83 CHAT (0.49) RAB9ACHATMAPTMAPK1KDM4E
SCHEMBL8376769 0.83 SMN1; SMN2 (0.46) RAB9ANPC1KMT2AMEN1ATM
SCHEMBL10706694 0.82 CHAT (0.62) RAB9ACHATKDM4EALDH1A1RXRA
SCHEMBL10706700 0.82 CHAT (0.62) RAB9ACHATKDM4EALDH1A1RXRA
SCHEMBL10706687 0.82 CHAT (0.62) RAB9ACHATKDM4EALDH1A1RXRA
SCHEMBL30747848 0.81 ALDH1A1 (0.50) RAB9ACHATMAPTMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320834-B2 Organic light emitting diode containing a novel Ir complex as a phosphorescent emitter NATIONAL TSING HUA UNIVERSITY (TW) 2008-01-22 — — US disclosed
US-7320834-B2 Organic light emitting diode containing a novel Ir complex as a phosphorescent emitter NATIONAL TSING HUA UNIVERSITY (TW) 2008-01-22 — — US disclosed
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