SCHEMBL7356550

SCHEMBL7356550

CCOC(=O)CN(c1ccc2c(c1)c(C(=O)CCc1ccc(C(=N)NC(=O)OC)cc1)cn2C)S(=O)(=O)c1cccc2cccnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 6/20 0.47
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 3/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.34
PTPN1 P18031 2/20 0.33
PTPRS Q13332 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33

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
SCHEMBL7353074 0.95 F2 (0.46) F2GAATSHRALDH1A1SMN1; SMN2
SCHEMBL7356602 0.94 F2 (0.46) F2GAATSHRALDH1A1MAPT
SCHEMBL7353216 0.91 F2 (0.58) F2GAATSHRALDH1A1SMN1; SMN2
SCHEMBL7352457 0.89 F2 (0.45) F2GAATSHRALDH1A1SMN1; SMN2
Iodide SCHEMBL7362204 0.86 F2 (0.56) F2GAATSHRALDH1A1SMN1; SMN2
Iodide SCHEMBL7357519 0.85 F2 (0.55) F2GAATSHRALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7360424 0.84 F2 (0.55) F2GAATSHRALDH1A1TP53
SCHEMBL7351436 0.82 F2 (0.44) F2GAATSHRALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7352296 0.82 F2 (0.68) F2TSHRALDH1A1SMN1; SMN2MAPT
Hydrochloric Acid SCHEMBL7381526 0.82 F2 (0.62) F2ALDH1A1SMN1; SMN2TP53MAPT

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
WO-1999028297-A1 SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-06-10 WO disclosed