SCHEMBL8630955

SCHEMBL8630955

O=S(=O)(Nc1n[nH]cc1-c1ccncc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.54
PIK3CD O00329 3/20 0.46
PIK3CA P42336 3/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CG P48736 3/20 0.46
PIK3R1 P27986 2/20 0.46
NTRK1 P04629 2/20 0.45
SLC22A12 Q96S37 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KIT P10721 1/20 0.42
KDR P35968 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MTOR P42345 1/20 0.40
IL1RN P18510 1/20 0.40
KEAP1 Q14145 1/20 0.40
ERAP1 Q9NZ08 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
SCHEMBL8632286 0.91 KIT (0.45) IMPDH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8629748 0.85 PIK3CA (0.52) PIK3CASLC22A12TDP1KEAP1GAA
SCHEMBL8632837 0.85 LMNA (0.51) LMNAKITKDRKDM4EKEAP1
SCHEMBL8634763 0.85 NAT1 (0.45) IMPDH2SMN1; SMN2KITKDRKDM4E
SCHEMBL8627973 0.85 KDM1A (0.51) LMNAKITKDRKDM4ENPSR1
SCHEMBL8631178 0.85 STAT3 (0.47) LMNAKITKDRKDM4ENPSR1
SCHEMBL8632960 0.85 KEAP1 (0.51) NTRK1LMNASMN1; SMN2KITKDR
SCHEMBL8632208 0.83 STAT3 (0.51) LMNASMN1; SMN2KEAP1CKS1BSKP2
SCHEMBL8628203 0.82 ALDH1A1 (0.46) LMNASMN1; SMN2KITKDRKDM4E
SCHEMBL8631560 0.80 SLC40A1 (0.44) KITKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed