SCHEMBL11795388

SCHEMBL11795388

C=CCOC(=O)NC(=S)Nc1ccccc1N=COCC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALOX12 P18054 1/20 0.35
POLB P06746 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL11795382 1.00 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL11694355 0.81 ALDH1A1 (0.59) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL11737599 0.81 ALDH1A1 (0.51) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL11737604 0.81 ALDH1A1 (0.51) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL11737225 0.78 ALDH1A1 (0.57) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL11737230 0.78 ALDH1A1 (0.57) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL11655475 0.76 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL11694686 0.75 EPHX1 (0.51) ALDH1A1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL11884603 0.75 HSD17B10 (0.51) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL11732603 0.74 ALDH1A1 (0.66) ALDH1A1LMNAHSD17B10HPGDALOX15

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-4018926-A Alkyl 4-[o-(substituted methyleneamino)-phenyl]-3-thioallophanate miticides and fungicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-19 US disclosed
US-4011213-A FUNGICIDES, MITE OVICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-03-08 US disclosed
US-3958007-A FUNGICIDES, MITE OVICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-18 US disclosed