SCHEMBL16994455

SCHEMBL16994455

c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4ccccc4c3)c3cc(-c4ccc(-c5nc6ccccc6[nH]5)cc4)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.49
▸ NPC1 O15118 6/20 0.49
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 7/20 0.46
▸ HPGD P15428 6/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KDR P35968 1/20 0.44
▸ KDM4E B2RXH2 8/20 0.43
▸ ALDH1A1 P00352 7/20 0.43
▸ PKM P14618 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ PDPK1 O15530 1/20 0.41
▸ CDK1 P06493 1/20 0.41

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
SCHEMBL17755354 0.92 NPC1 (0.55) RAB9ANPC1GAASMN1; SMN2HPGD
SCHEMBL16994454 0.91 NPC1 (0.51) RAB9ANPC1GAASMN1; SMN2HPGD
SCHEMBL30293222 0.91 NPC1 (0.51) RAB9ANPC1GAASMN1; SMN2HPGD
SCHEMBL16000737 0.85 NPC1 (0.53) RAB9ANPC1GAASMN1; SMN2HPGD
SCHEMBL28349067 0.83 NPC1 (0.50) RAB9ANPC1GAASMN1; SMN2HPGD
SCHEMBL24063115 0.83 NPC1 (0.60) RAB9ANPC1GAASMN1; SMN2HPGD
SCHEMBL16002467 0.80 NPC1 (0.51) RAB9ANPC1GAASMN1; SMN2HPGD
SCHEMBL12696289 0.80 KDR (0.48) RAB9ANPC1GAASMN1; SMN2HPGD
SCHEMBL24500939 0.80 NPC1 (0.66) RAB9ANPC1GAASMN1; SMN2HPGD
SCHEMBL12696293 0.78 NPC1 (0.47) RAB9ANPC1SMN1; SMN2HPGDLMNA

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
US-9105858-B2 Organic electroluminescent device and display apparatus JOLED INC. (JP) 2015-08-11 — — US disclosed
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