SCHEMBL9435935

SCHEMBL9435935

CS(=O)(=O)CCN(CCCl)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.52
ERBB2 P04626 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HIF1A Q16665 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
NFKB1 P19838 2/20 0.44
THPO P40225 2/20 0.44
PMP22 Q01453 2/20 0.44
GMNN O75496 1/20 0.44
CYP2D6 P10635 1/20 0.44
GABRA1 P14867 1/20 0.44
TSHR P16473 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
CYP3A4 P08684 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 2/20 0.43

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
SCHEMBL9435956 0.92 SMN1; SMN2 (0.45) EGFRERBB2SMN1; SMN2ALDH1A1MAPT
SCHEMBL766052 0.86 EGFR (0.61) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL1066049 0.82 EGFR (0.49) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL8193682 0.81 EGFR (0.69) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL7471413 0.80 EGFR (0.58) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL3646979 0.79 EGFR (0.46) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL8724096 0.78 ALDH1A1 (0.50) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL8724095 0.78 EGFR (0.39) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A
SCHEMBL8813952 0.77 ALOX5 (0.45) EGFRERBB2SMN1; SMN2ALDH1A1KMT2A
SCHEMBL7711919 0.77 EGFR (0.52) EGFRERBB2SMN1; SMN2ALDH1A1HIF1A

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
EP-0408546-B1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RES CAMPAIGN TECH (GB) 1994-04-27 EP claimed
EP-0408546-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS. CANCER RES CAMPAIGN TECH (GB) 1991-01-23 EP claimed
WO-1988007378-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RESEARCH CAMPAIGN TECHNOLOGY LTD. (GB) 1988-10-06 WO claimed