SCHEMBL11270955

SCHEMBL11270955

COC(=O)CN(C(=O)CSC(=O)c1ccco1)c1c(C)ccc(Br)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
RECQL P46063 1/20 0.35
ALDH1A1 P00352 7/20 0.34
POLB P06746 3/20 0.34
HPGD P15428 3/20 0.34
APOBEC3A P31941 1/20 0.34
ESR2 Q92731 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
MAPT P10636 3/20 0.33
PKM P14618 2/20 0.33
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 3/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL11272650 0.92 ALDH1A1 (0.36) LMNAALDH1A1POLBHPGDAPOBEC3A
SCHEMBL11337851 0.89 PTPN1 (0.33) LMNARECQLALDH1A1POLBHPGD
SCHEMBL11282776 0.88 ALDH1A1 (0.35) LMNAALDH1A1POLBHPGDAPOBEC3A
SCHEMBL11280601 0.88 S1PR4 (0.39) LMNARECQLALDH1A1POLBHPGD
SCHEMBL11265319 0.84 KMT2A (0.43) ALDH1A1HPGDTDP1L3MBTL1MAPK1
SCHEMBL11266992 0.82 RAB9A (0.34) ALDH1A1HPGDMAPK1HSD17B10ALOX15
SCHEMBL11279228 0.81 NPSR1 (0.36) LMNARECQLALDH1A1POLBHPGD
SCHEMBL11279231 0.81 NPSR1 (0.36) LMNARECQLALDH1A1POLBHPGD
SCHEMBL11279654 0.80 KMT2A (0.36) LMNAALDH1A1POLBHPGDKMT2A
SCHEMBL11499435 0.80 ATM (0.36) LMNARECQLALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4313957-A Pesticidal sulfur containing amides derived from aniline and the method of preparation thereof RHONE-POULENC AGROCHIMIE (FR) 1982-02-02 US disclosed