SCHEMBL8629680

SCHEMBL8629680

Brc1ccccc1-c1nn[c]o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.46
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
ALDH1A1 P00352 6/20 0.46
TP53 P04637 5/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 3/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 5/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
GAA P10253 1/20 0.41
C1R P00736 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
PBRM1 Q86U86 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL11187014 0.85 RAB9A (0.33) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL8630238 0.77 RAB9A (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL4448588 0.77 NPC1 (0.57) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL8629170 0.77 CASP3 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL5267951 0.74 ALOX15 (0.47) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL15392970 0.73 NOTUM (0.36) SMN1; SMN2RAB9ANPC1ALDH1A1TSHR
SCHEMBL3613332 0.73 ALDH1A1 (0.46) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL28185933 0.73 RAB9A (0.75) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL352664 0.71 NPC1 (0.50) SMN1; SMN2RAB9ANPC1ALDH1A1MAPT
SCHEMBL11324245 0.70 L3MBTL1 (0.55) RAB9ANPC1ALDH1A1MAPTL3MBTL1

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-0003277-A1 Heterocycle substituted (3-loweralkylamino-2-RO-propoxy)pyridines, process for preparing the same,and pharmaceutical composition containing the same MERCK & CO. INC. (US) 1979-08-08 EP disclosed