SCHEMBL14934216

SCHEMBL14934216

C#Cc1ccc(C(=O)NC(=O)N2CCCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ LMNA P02545 4/20 0.52
▸ GAA P10253 4/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ HTT P42858 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ THRA P10827 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ NPY1R P25929 1/20 0.43
▸ MC4R P32245 1/20 0.43
▸ NPY2R P49146 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ NOD2 Q9HC29 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 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
SCHEMBL14934220 0.99 ALDH1A1 (0.50) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL15208345 0.84 SMN1; SMN2 (0.56) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL15208504 0.83 HTT (0.54) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL14934261 0.82 ALDH1A1 (0.55) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL14934258 0.81 ALDH1A1 (0.53) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL15218943 0.80 RXFP1 (0.52) ALDH1A1LMNAGAASMN1; SMN2HTT
SCHEMBL15209067 0.79 SMN1; SMN2 (0.43) ALDH1A1LMNAGAASMN1; SMN2MAPT
SCHEMBL14934213 0.79 PARP1 (0.42) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL15209795 0.79 HCAR3 (0.46) ALDH1A1GAASMN1; SMN2MAPTTDP1
SCHEMBL15208534 0.78 HCAR3 (0.51) ALDH1A1LMNAGAASMN1; SMN2HTT

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-103086925-A Benzoyl urea derivatives having anticancer activity and their preparation method and use ZHEJIANG HISUN PHARM CO LTD 2013-05-08 — — CN claimed
WO-2013064029-A1 BENZOYLUREA DERIVATIVE WITH ANTICANCER ACTIVITY AND PREPARATION METHOD AND USE THEREOF 浙江海正药业股份有限公司 (CN) 2013-05-10 — — WO disclosed
CN-103086925-A Benzoyl urea derivatives having anticancer activity and their preparation method and use ZHEJIANG HISUN PHARM CO LTD 2013-05-08 — — CN disclosed
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