SCHEMBL11459985

SCHEMBL11459985

CNc1ncnc2c1ncn2Cc1c(Cl)cccc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ HTT P42858 3/20 0.64
▸ PDE4A P27815 3/20 0.61
▸ PDE4B Q07343 3/20 0.61
▸ PDE4C Q08493 3/20 0.61
▸ PDE4D Q08499 3/20 0.61
▸ PDE5A O76074 2/20 0.60
▸ PDE1A P54750 2/20 0.60
▸ PDE1B Q01064 2/20 0.60
▸ PDE3B Q13370 2/20 0.60
▸ PDE1C Q14123 2/20 0.60
▸ PDE3A Q14432 2/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MEN1 O00255 1/20 0.57
▸ RECQL P46063 1/20 0.57

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
SCHEMBL10408838 0.92 PDE4A (0.67) SMN1; SMN2LMNAHTTPDE4APDE4B
SCHEMBL11452052 0.87 HTT (0.67) SMN1; SMN2LMNAHTTPDE4APDE4B
SCHEMBL11454107 0.86 HTT (0.60) SMN1; SMN2LMNAHTTPDE4APDE4B
SCHEMBL5122955 0.82 PDE4A (0.85) HTTPDE4APDE4BPDE4CPDE4D
SCHEMBL11471767 0.82 LMNA (0.67) SMN1; SMN2LMNAHTTNPSR1ALDH1A1
SCHEMBL11459722 0.82 HTT (0.64) SMN1; SMN2LMNAHTTPDE4APDE4B
SCHEMBL11452542 0.80 HTT (0.59) SMN1; SMN2LMNAHTTPDE4APDE4B
SCHEMBL10962832 0.80 ADORA2A (0.68) SMN1; SMN2LMNAHTTNPSR1ALDH1A1
SCHEMBL11454110 0.79 SMN1; SMN2 (0.79) SMN1; SMN2LMNAHTTNPSR1ALDH1A1
SCHEMBL21121778 0.78 HTT (1.00) SMN1; SMN2LMNAHTTNPSR1ALDH1A1

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-4189485-A ANTICOCCIDIAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-19 — — US claimed
US-4189485-A ANTICOCCIDIAL ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-19 — — US disclosed
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