SCHEMBL21205575

SCHEMBL21205575

Cc1ncc(CSCCBr)c2c1OC(C)(C)OC2

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPK1 P28482 1/20 0.62
MAOB P27338 4/20 0.43
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPT P10636 1/20 0.31

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
SCHEMBL21205511 0.89 KMT2A (0.63) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL21205574 0.88 KMT2A (0.62) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL14062525 0.83 KMT2A (0.72) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL11012435 0.78 ALDH1A1 (0.72) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL11458508 0.78 KMT2A (0.72) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL10953367 0.78 KMT2A (0.97) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL3443164 0.78 KMT2A (0.72) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL14015231 0.76 KMT2A (0.69) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL4048854 0.76 KMT2A (0.69) KMT2AALDH1A1MAPK1MAOBHCRTR1
SCHEMBL11451208 0.74 KMT2A (0.57) KMT2AALDH1A1MAPK1MAOBHCRTR1

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-3517527-B1 ANTIBACTERIAL AGENTS BASED ON CIPROFLOXACIN DERIVATIVES AKTSIONERNOE OBSHCHESTVO TATKHIMFARMPREPARATY (RU) 2020-04-15 EP disclosed
EP-3517527-B1 ANTIBACTERIAL AGENTS BASED ON CIPROFLOXACIN DERIVATIVES AKTSIONERNOE OBSHCHESTVO TATKHIMFARMPREPARATY (RU) 2020-04-15 EP disclosed
EP-3517527-A1 ANTIBACTERIAL AGENTS BASED ON CIPROFLOXACIN DERIVATIVES Aktsionernoe Obshchestvo "Tatkhimfarmpreparaty" (RU) 2019-07-31 EP disclosed