SCHEMBL28166973

SCHEMBL28166973

Nc1ccc(-c2ccc3ccccc3c2-c2ccc(N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCZ Q05513 1/20 0.51
▸ ACHE P22303 2/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ DNMT1 P26358 1/20 0.43
▸ PRKDC P78527 1/20 0.42
▸ HSD17B10 Q99714 6/20 0.41
▸ CYP3A4 P08684 5/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GMNN O75496 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
SCHEMBL24296570 0.96 PRKCZ (0.49) PRKCZACHEMEN1KMT2ANPC1
SCHEMBL31670653 0.96 PRKCZ (0.49) PRKCZACHEMEN1KMT2ANPC1
SCHEMBL28139287 0.90 ALDH1A1 (0.47) PRKCZACHEMEN1KMT2ANPC1
SCHEMBL28095067 0.84 ALDH1A1 (0.47) PRKCZACHEMEN1KMT2ANPC1
SCHEMBL191449 0.84 DNMT1 (0.48) MEN1KMT2ANPC1RAB9ADNMT1
SCHEMBL30034855 0.84 DNMT1 (0.48) MEN1KMT2ANPC1RAB9ADNMT1
SCHEMBL23443653 0.82 PRKCZ (0.53) PRKCZMEN1KMT2ANPC1RAB9A
SCHEMBL29321981 0.82 DNMT1 (0.44) ACHEMEN1KMT2ADNMT1HSD17B10
SCHEMBL28795672 0.82 CYP3A4 (0.47) PRKCZHSD17B10CYP3A4TDP1TAAR1
Ammonia Solution, Strong SCHEMBL12818906 0.82 DNMT1 (0.47) MEN1KMT2ANPC1RAB9ADNMT1

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-107098816-A Contain naphthalene and ester structure function diamine monomer and its synthetic method and application with high flatness 湖南工业大学 2017-08-29 — — CN disclosed
CN-107098814-A Contain naphthalene and amide structure function diamine monomer and its synthetic method and application with high flatness 湖南工业大学 2017-08-29 — — CN disclosed
CN-107056634-A It is a kind of new with the diamine monomer of function containing naphthalene structure of high flatness and its synthetic method and application 湖南工业大学 2017-08-18 — — CN disclosed
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