SCHEMBL8375706

SCHEMBL8375706

C/C(=C\c1cccc(/C=C(\C)C(=O)NC(=N)N)c1)C(=O)NC(=N)N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.54
SLC9A3 P48764 1/20 0.54
SLC9A2 Q9UBY0 1/20 0.54
F10 P00742 1/20 0.43
AKR1C3 P42330 1/20 0.41
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
DHODH Q02127 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HPGD P15428 3/20 0.40
STAT1 P42224 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
MDM2 Q00987 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8375716 1.00 SLC9A1 (0.54) SLC9A1SLC9A3SLC9A2F10AKR1C3
SCHEMBL19341322 0.90 KMT2A (0.46) SLC9A1SLC9A3SLC9A2F10AKR1C3
SCHEMBL13286023 0.89 SLC9A3 (0.74) SLC9A1SLC9A3SLC9A2F10AKR1C3
SCHEMBL5426989 0.89 AKR1C3 (0.55) SLC9A1SLC9A3SLC9A2AKR1C3RAB9A
SCHEMBL5426994 0.89 AKR1C3 (0.55) SLC9A1SLC9A3SLC9A2AKR1C3RAB9A
SCHEMBL19341326 0.87 KMT2A (0.48) SLC9A1SLC9A3SLC9A2RAB9ASMN1; SMN2
SCHEMBL1277382 0.81 KMT2A (0.40) AKR1C3RAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL1277207 0.80 HSD17B1 (0.42) F10DHODHTRPM8
SCHEMBL1277376 0.79 F10 (0.35) SLC9A1SLC9A3SLC9A2F10RAB9A
SCHEMBL24971848 0.78 SLC9A3 (0.74) SLC9A1SLC9A3SLC9A2F10AKR1C3

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-0901788-A2 Use of inhibitors of the sodium hydrogen exchange in the manufacture of a medicament Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-17 EP claimed
EP-0901788-A2 Use of inhibitors of the sodium hydrogen exchange in the manufacture of a medicament Hoechst Marion Roussel Deutschland GmbH (DE) 1999-03-17 EP disclosed