SCHEMBL27717805

SCHEMBL27717805

CCn1c2c(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)cc(C(C)(C)C)cc2c2cc(C(C)(C)C)cc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ S1PR4 O95977 1/20 0.43
▸ S1PR5 Q9H228 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NR1H4 Q96RI1 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TYMS P04818 1/20 0.36
▸ PLAT P00750 1/20 0.36

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
SCHEMBL27697520 0.76 KDM4E (0.37) KDM4EALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL27717801 0.74 PGR (0.33) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL3293191 0.74 NPC1 (0.75) S1PR1KDM4ENPC1RAB9AS1PR4
SCHEMBL2623780 0.74 NPC1 (0.75) S1PR1KDM4ENPC1RAB9AS1PR4
SCHEMBL12427246 0.73 NPC1 (0.68) S1PR1KDM4ENPC1RAB9AS1PR4
SCHEMBL460873 0.73 NPC1 (0.68) S1PR1KDM4ENPC1RAB9AS1PR4
SCHEMBL6296907 0.72 NPC1 (0.72) S1PR1KDM4ENPC1RAB9AS1PR4
SCHEMBL1104799 0.72 NPC1 (0.72) S1PR1KDM4ENPC1RAB9AS1PR4
SCHEMBL6468532 0.70 NPC1 (0.60) S1PR1KDM4ENPC1RAB9AS1PR4
SCHEMBL31606600 0.70 NPC1 (0.64) S1PR1KDM4ENPC1RAB9AS1PR4

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
CN-101139317-B Organic semiconductor material containing carbazole unit and synthesis UNIV NANJING POSTS & TELECOMM 2011-09-07 — — CN disclosed
CN-101139317-A Organic semiconductor material containing carbazole unit and synthesis UNIV NANJING POSTS & TELECOMM (CN) 2008-03-12 — — CN disclosed
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