SCHEMBL11008299

SCHEMBL11008299

CC1=C(c2ccccc2)CCC(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.42
▸ CFTR P13569 1/20 0.42
▸ GOPC Q9HD26 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MAPK13 O15264 1/20 0.41
▸ MAPK12 P53778 1/20 0.41
▸ MAPK11 Q15759 1/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PTGS2 P35354 2/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ CRBN Q96SW2 6/20 0.38
▸ DDB1 Q16531 5/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PDE3B Q13370 2/20 0.36
▸ PDE3A Q14432 2/20 0.36
▸ PARP10 Q53GL7 1/20 0.36

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
SCHEMBL9630168 0.81 TDP2 (0.38) SMN1; SMN2ALDH1A1PTGS2PTGS1CRBN
SCHEMBL11079732 0.81 PDE3B (0.49) MAPK14CRBNDDB1PDE3BPDE3A
SCHEMBL11083179 0.80 CYP11B1 (0.52) ALDH1A1PTGS2PTGS1CRBNPDE3B
SCHEMBL11084887 0.79 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1LMNAPTGS2PTGS1
Biphenyl SCHEMBL7154019 0.77 CRBN (0.58) SRD5A1CFTRGOPCSMN1; SMN2NPC1
SCHEMBL9630888 0.74 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1LMNAPTGS2PTGS1
SCHEMBL10338409 0.73 KCNH2 (0.55) CRBNDDB1KMT2APDE3BPDE3A
Toluene SCHEMBL8371012 0.73 CRBN (0.52) SRD5A1SMN1; SMN2NPC1MAPK13MAPK12
SCHEMBL31678688 0.69 PTGS2 (0.50) SRD5A1CFTRGOPCSMN1; SMN2ALDH1A1
Succinimide SCHEMBL28635055 0.68 CRBN (0.79) SRD5A1SMN1; SMN2NPC1MAPK13MAPK12

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
US-4508722-A 1-Benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1985-04-02 — — US disclosed
US-4405552-A INSECTICIDES ELI LILLY AND COMPANY (US) 1983-09-20 — — US disclosed
EP-0060071-A1 Improvements in or relating to 1-benzoyl-3-(arylpyridyl)urea compounds ELI LILLY AND COMPANY (US) 1982-09-15 — — EP disclosed
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