SCHEMBL14339145

SCHEMBL14339145

CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)o2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.52
▸ KDM4E B2RXH2 5/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ RAB9A P51151 5/20 0.49
▸ EGFR P00533 1/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ S1PR5 Q9H228 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
SCHEMBL13230198 0.93 S1PR1 (0.46) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL13230183 0.93 S1PR1 (0.46) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL12680744 0.91 S1PR1 (0.47) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL11987984 0.91 S1PR1 (0.47) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL11987999 0.91 S1PR1 (0.47) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL14465527 0.89 S1PR1 (0.45) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL17125593 0.89 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL13230232 0.88 S1PR1 (0.49) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL13230234 0.88 S1PR1 (0.49) S1PR1KDM4ENPC1RAB9AEGFR
SCHEMBL10820025 0.87 S1PR1 (0.48) S1PR1KDM4ENPC1RAB9AEGFR

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-1705727-B1 Light emitting element NOVALED AG (DE) 2007-12-26 — — EP disclosed
Send feedback