SCHEMBL8630557

SCHEMBL8630557

[c]1nnc(Nc2ccccn2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.49
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
MAPK10 P53779 2/20 0.48
GFER P55789 1/20 0.48
MECP2 P51608 1/20 0.46
KCNN1 Q92952 1/20 0.46
KCNN2 Q9H2S1 1/20 0.46
MBD2 Q9UBB5 1/20 0.46
KCNN3 Q9UGI6 1/20 0.46
NPC1 O15118 9/20 0.45
RAB9A P51151 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 3/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL8625316 0.74 HSD17B10 (0.42) KDRMEN1KMT2AGFERNPC1
SCHEMBL221242 0.72 KMT2A (0.76) KDRMEN1KMT2AMAPK10GFER
SCHEMBL29391624 0.72 KMT2A (0.76) KDRMEN1KMT2AMAPK10GFER
SCHEMBL3951276 0.71 MEN1 (0.67) KDRMEN1KMT2AMAPK10GFER
SCHEMBL29544002 0.71 MEN1 (0.67) KDRMEN1KMT2AMAPK10GFER
SCHEMBL15688032 0.70 MECP2 (0.51) KDRMEN1KMT2AMAPK10GFER
SCHEMBL6121259 0.70 KDR (0.54) KDRMEN1KMT2AMAPK10GFER
SCHEMBL11133606 0.70 KMT2A (0.73) KDRMEN1KMT2AMAPK10GFER
SCHEMBL4243882 0.70 KMT2A (0.73) KDRMEN1KMT2AMAPK10GFER
SCHEMBL6175584 0.70 KMT2A (0.73) KDRMEN1KMT2AMAPK10GFER

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 6 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