SCHEMBL11222044

SCHEMBL11222044

c1cnc2c(c1)nnc1ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 6/20 0.45
▸ L3MBTL1 Q9Y468 4/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ KDM4E B2RXH2 7/20 0.44
▸ MAPT P10636 5/20 0.44
▸ LMNA P02545 4/20 0.44
▸ GPR3 P46089 1/20 0.42
▸ CCR1 P32246 3/20 0.39
▸ CCR8 P51685 3/20 0.39
▸ HTT P42858 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ TP53 P04637 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ MMP13 P45452 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ GMNN O75496 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39

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
SCHEMBL30895368 0.84 GPR3 (0.56) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL11199602 0.84 GPR3 (0.56) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL9058058 0.81 KDM4E (0.50) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL11195631 0.81 MAPT (0.57) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL11203305 0.80 GPR3 (0.64) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL29211321 0.77 KDM4E (0.43) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL30373152 0.75 LMNA (0.42) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL19233003 0.71 DHFR (0.53) HSP90AA1L3MBTL1NPC1KDM4EMAPT
SCHEMBL29408294 0.71 ALDH1A1 (0.55) HSP90AA1NPC1KDM4EMAPTLMNA
SCHEMBL88611 0.71 ALDH1A1 (0.55) HSP90AA1NPC1KDM4EMAPTLMNA

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-4369318-A USING A BENZO-OR PYRIDO-CINNOLINES AS BLEACH CATALYST CIBA-GEIGY LTD. (CH) 1983-01-18 — — US disclosed
US-4266011-A FUSED PYRIDAZINE CATALYST CIBA-GEIGY AG (CH) 1981-05-05 — — US disclosed
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