SCHEMBL11737698

SCHEMBL11737698

CC1(NC(N)=O)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
DPP4 P27487 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 1/20 0.33
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
BLM P54132 1/20 0.30
CACNA2D1 P54289 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL11733763 0.98 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL16323153 0.87
SCHEMBL1694483 0.78 CNR2 (0.37) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL14627310 0.78 HTT (0.41) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL11955648 0.78 HTT (0.41) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL5260246 0.78 HTT (0.41) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL5219364 0.78 HTT (0.41) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
Carbamic Acid SCHEMBL28572811 0.77 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
Methyl Carbamate SCHEMBL11664166 0.77 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL21782558 0.76 HDAC3 (0.35) ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117337441-A Information processing device, information processing method, and information processing program 尤妮佳股份有限公司 2024-01-02 CN disclosed
WO-2022239539-A1 INFORMATION PROCESSING DEVICE, INFORMATION PROCESSING METHOD, AND INFORMATION PROCESSING PROGRAM ユニ・チャーム株式会社 2022-11-17 WO disclosed
CN-104093701-B Separation method 旭化成株式会社 2017-05-03 CN disclosed
CN-103069051-A Organic hydride manufacturing device HITACHI LTD 2013-04-24 CN disclosed
US-4001425-A METHODS OF TREATING HYPERTENSION AND PHARMACEUTICAL COMPOSITIONS COMPRISING 1-TERTIARY-ALKYL-3-(SUBSTITUTED FURYL)UREAS AS ANTIHYPERTENSIVE AGENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 US disclosed
US-3969370-A 1-Tertiary-alkyl-3-(substituted furyl)ureas as antihypertensive agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-07-13 US disclosed
US-3956366-A PREPARATION OF AZO AND HYDRAZINE COMPOUND PENNWALT CORPORATION (US) 1976-05-11 US disclosed