SCHEMBL8629508

SCHEMBL8629508

[c]1nnc(-c2ccccc2)n1Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
ALDH1A1 P00352 5/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 2/20 0.33
KDR P35968 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
ALOX12 P18054 1/20 0.33
CCR6 P51684 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CHEK1 O14757 1/20 0.33
LIMK1 P53667 1/20 0.33
MAPK14 Q16539 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL4391055 0.69 KMT2A (0.43) KMT2AL3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL794659 0.66 TSHR (0.43) KMT2AALDH1A1HPGDGAAKDM4E
SCHEMBL8626448 0.62 L3MBTL1 (0.45) KMT2AL3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL626632 0.58 ALDH1A1 (0.43) KMT2AL3MBTL1TP53ALDH1A1NPSR1
SCHEMBL12841647 0.56 KMT2A (1.00) KMT2AL3MBTL1TP53ALDH1A1HPGD
SCHEMBL15570466 0.56 CYP1A2 (0.41) KMT2AL3MBTL1TP53ALDH1A1NPSR1
SCHEMBL822698 0.56 HSD11B1 (0.68) KMT2AL3MBTL1ALDH1A1TSHRAVPR1A
SCHEMBL11539692 0.55 CYP3A4 (0.45) KMT2AL3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL6445730 0.55 CYP1A2 (0.40) KMT2AL3MBTL1ALDH1A1NPSR1MAPT
SCHEMBL18327898 0.55 AVPR1A (0.70) KMT2AALDH1A1HPGDLMNAKDM4E

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