SCHEMBL10370404

SCHEMBL10370404

CCCCCCN=Cc1cccc(O)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GFER P55789 1/20 0.43
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
EZH2 Q15910 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
SCHEMBL8757032 1.00 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AALDH1A1GFERCA12
SCHEMBL22029512 1.00 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AALDH1A1GFERCA12
SCHEMBL8757039 1.00 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AALDH1A1GFERCA12
SCHEMBL10367497 1.00 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AALDH1A1GFERCA12
SCHEMBL14383569 0.81 ALDH1A1 (0.44) SMN1; SMN2KMT2AALDH1A1CA12CA2
SCHEMBL610345 0.81 TP53 (0.41) KMT2AALDH1A1CA12CA2CA9
SCHEMBL8755989 0.80 ALDH1A1 (0.73) KMT2AALDH1A1CA12CA2CA9
SCHEMBL8756569 0.80 ALDH1A1 (0.73) KMT2AALDH1A1CA12CA2CA9
SCHEMBL8755991 0.80 ALDH1A1 (0.73) KMT2AALDH1A1CA12CA2CA9
SCHEMBL8756493 0.80 ALDH1A1 (0.73) KMT2AALDH1A1CA12CA2CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150073-B1 3,4-DISUBSTITUTED-1,2,5-OXADIAZOLES HAVING HISTAMINE H2-RECEPTOR ANTAGONIST ACTIVITY Bristol-Myers Squibb Company (US) 1990-09-26 EP disclosed
EP-0150073-A1 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2-receptor antagonist activity Bristol-Myers Squibb Company (US) 1985-07-31 EP disclosed
US-4507485-A 3,4-Disubstituted-1,2,5-oxadiazoles having histamine H2 -receptor antagonist activity BRISTOL-MYERS COMPANY (US) 1985-03-26 US disclosed