SCHEMBL10665518

SCHEMBL10665518

CCCCCCN1C(=O)/C(=C/C(=O)O)S/C1=N/c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 9/20 0.45
▸ FFAR1 O14842 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ ACP1 P24666 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ S1PR1 P21453 1/20 0.39
▸ S1PR3 Q99500 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ PSMB8 P28062 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL10665524 1.00 CDC25A (0.45) CDC25AFFAR1LMNAKDM4EALDH1A1
SCHEMBL10667434 0.84 LMNA (0.55) CDC25ALMNAALDH1A1MAPTPTPN1
SCHEMBL10667429 0.84 LMNA (0.55) CDC25ALMNAALDH1A1MAPTPTPN1
SCHEMBL10665560 0.78 S1PR1 (0.47) CDC25ALMNAPTPN1HPGDSMN1; SMN2
SCHEMBL10665557 0.78 S1PR1 (0.47) CDC25ALMNAPTPN1HPGDSMN1; SMN2
SCHEMBL10666412 0.76 POLB (0.41) LMNAKDM4EALDH1A1MAPTPTPN1
SCHEMBL10666405 0.76 POLB (0.41) LMNAKDM4EALDH1A1MAPTPTPN1
SCHEMBL10661496 0.75 CDC25A (0.44) CDC25ALMNAKDM4EALDH1A1MAPT
SCHEMBL10664577 0.75 CDC25A (0.44) CDC25ALMNAKDM4EALDH1A1MAPT
SCHEMBL10666304 0.75 CDC25A (0.44) CDC25ALMNAKDM4EALDH1A1MAPT

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
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US claimed
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US disclosed
Send feedback