SCHEMBL14511003

SCHEMBL14511003

Nc1cc2nc(N)c(-c3ccccc3)nc2c(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ GAA P10253 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ GLA P06280 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ GMNN O75496 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CTSG P08311 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ PKM P14618 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ NFKB1 P19838 1/20 0.54

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
SCHEMBL384076 0.75 KDM4E (0.61) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL23173620 0.71 CSNK1A1 (0.59) KDM4EALDH1A1HPGDGAALMNA
Triamterene SCHEMBL5421685 0.70 ALDH1A1 (1.00) KDM4EALDH1A1HPGDGAALMNA
Triamterene SCHEMBL40707 0.70 ALDH1A1 (1.00) KDM4EALDH1A1HPGDGAALMNA
Triamterene SCHEMBL29531410 0.70 ALDH1A1 (1.00) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL14596555 0.69 DHFR (0.54) KDM4EALDH1A1HPGDLMNASMN1; SMN2
Triamterene SCHEMBL11044581 0.69 ALDH1A1 (0.97) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL10399574 0.68 CSNK1A1 (0.52) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL10894514 0.67 ALDH1A1 (0.87) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL14733300 0.66 ADORA2A (0.60) KDM4EALDH1A1HPGDGAALMNA

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-20070106057-A1 Polyimide resin, method of producing polyimide resin, and electrolyte membrane, catalyst layer, membrane/electrode assembly and device each containing polyimide resin YAMANASHI, UNIVERSITY OF (JP) 2007-05-10 — — US disclosed
US-20070106057-A1 Polyimide resin, method of producing polyimide resin, and electrolyte membrane, catalyst layer, membrane/electrode assembly and device each containing polyimide resin YAMANASHI, UNIVERSITY OF (JP) 2007-05-10 — — US disclosed
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