SCHEMBL8629567

SCHEMBL8629567

[c]1nnc(-c2ccco2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
APAF1 O14727 1/20 0.47
NSD2 O96028 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
ALDH1A1 P00352 8/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 6/20 0.44
HPGD P15428 6/20 0.44
GAA P10253 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
HSD17B10 Q99714 4/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 2/20 0.42
ALOX15 P16050 2/20 0.42

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
SCHEMBL4328058 0.67 ALDH1A1 (0.52) POLBNPC1RAB9AAPAF1NSD2
SCHEMBL5954221 0.67 POLB (0.48) POLBNPC1RAB9AAPAF1NSD2
SCHEMBL12023989 0.65 KDM4E (0.49) POLBNPC1RAB9AAPAF1NSD2
SCHEMBL2337144 0.65 ALDH1A1 (0.46) POLBNPC1RAB9AAPAF1NSD2
SCHEMBL5635165 0.65 POLB (0.47) POLBNPC1RAB9AAPAF1NSD2
SCHEMBL1799678 0.65 ALDH1A1 (0.63) POLBNPC1RAB9AAPAF1NSD2
SCHEMBL13528571 0.65 NPC1 (1.00) POLBNPC1RAB9AAPAF1NSD2
SCHEMBL16896272 0.64 POLB (0.45) POLBNPC1RAB9AAPAF1NSD2
SCHEMBL4336235 0.63 POLB (0.44) POLBNPC1RAB9AAPAF1NSD2
SCHEMBL1903235 0.63 PDE10A (0.45) POLBNPC1RAB9AAPAF1NSD2

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
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
EP-0002774-A1 Process for acylating 7aminocephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 EP disclosed