SCHEMBL8629170

SCHEMBL8629170

Oc1ccccc1-c1nn[c]o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.46
SENP8 Q96LD8 4/20 0.46
SENP7 Q9BQF6 4/20 0.46
SENP6 Q9GZR1 4/20 0.46
CHUK O15111 3/20 0.42
TXNRD1 Q16881 3/20 0.42
NOX4 Q9NPH5 3/20 0.42
TTR P02766 1/20 0.42
HSD17B10 Q99714 4/20 0.41
NPC1 O15118 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
RAB9A P51151 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 4/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9361146 0.85 ESR1 (0.42) CASP3SENP8SENP7SENP6CHUK
SCHEMBL8630238 0.77 RAB9A (0.57) CASP3SENP8SENP7SENP6HSD17B10
SCHEMBL28563204 0.77 NOTUM (0.50) NPC1KDM4EALDH1A1RAB9AHPGD
SCHEMBL5267951 0.74 ALOX15 (0.47) HSD17B10NPC1KDM4EALDH1A1RAB9A
SCHEMBL15392970 0.73 NOTUM (0.36) CASP3SENP8SENP7SENP6NPC1
SCHEMBL5945934 0.73 NOTUM (0.54)
SCHEMBL3613332 0.73 ALDH1A1 (0.46) HSD17B10NPC1KDM4EALDH1A1RAB9A
SCHEMBL9737555 0.73 NPC1 (0.64) CASP3SENP8SENP7SENP6CHUK
SCHEMBL352664 0.71 NPC1 (0.50) HSD17B10NPC1KDM4EALDH1A1RAB9A
SCHEMBL11324245 0.70 L3MBTL1 (0.55) CASP3SENP7HSD17B10NPC1KDM4E

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 8 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
US-4201779-A 7[(2-Amino-thiazol-4-yl)glyoxylamido]-cephem derivatives and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed
US-4016159-A BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed