SCHEMBL12825877

SCHEMBL12825877

COc1cc(Oc2ccc(Br)cc2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ KDR P35968 4/20 0.44
▸ TNNI3K Q59H18 2/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ RAF1 P04049 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPT P10636 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12825477 0.85 SMN1; SMN2 (0.55) L3MBTL1KDRTNNI3KMAPK14SMN1; SMN2
SCHEMBL21610145 0.82 L3MBTL1 (0.49) L3MBTL1KDRTNNI3KMAPK14SMN1; SMN2
SCHEMBL12825465 0.82 P2RX3 (0.50) L3MBTL1KDRTNNI3KMAPK14SMN1; SMN2
SCHEMBL12825946 0.82 NPC1 (0.57) L3MBTL1KDRTNNI3KMAPK14SMN1; SMN2
SCHEMBL12825874 0.82 KDR (0.47) L3MBTL1KDRTNNI3KMAPK14SMN1; SMN2
SCHEMBL12825399 0.81 NPC1 (0.61) L3MBTL1KDRTNNI3KMAPK14SMN1; SMN2
SCHEMBL12825402 0.81 EGFR (0.53) KDRTNNI3KMAPK14SMN1; SMN2RAB9A
SCHEMBL21610188 0.79 SMN1; SMN2 (0.52) L3MBTL1KDRTNNI3KSMN1; SMN2CASP3
SCHEMBL12826164 0.78 KDR (0.59) L3MBTL1KDRTNNI3KMAPK14CASP3
SCHEMBL16838919 0.78 RAB9A (0.45) L3MBTL1ATMRAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1533303-B1 Substituted Aminosalicylacid Amides ( intermediates ) BAYER CROPSCIENCE AG (DE) 2013-04-24 — — EP disclosed
EP-2292608-A1 Intermediates for the preparation of substituted Aminosalicylic acid amides with fungicidal activity Bayer CropScience AG (DE) 2011-03-09 — — EP disclosed
Send feedback