SCHEMBL7418624

SCHEMBL7418624

COC(=O)[C@H](C)CSc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
TSHR P16473 1/20 0.57
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 7/20 0.52
ALDH1A1 P00352 7/20 0.52
MAPK10 P53779 1/20 0.52
RGS12 O14924 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 6/20 0.50
PKM P14618 2/20 0.49
NPC1 O15118 4/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL15281193 0.87 LMNA (0.45) HPGDKMT2AMEN1TSHRLMNA
SCHEMBL7421414 0.83 KMT2A (0.57) HPGDKMT2AMEN1TSHRLMNA
SCHEMBL19787804 0.83 HPGD (0.57) HPGDKMT2AMEN1TSHRLMNA
SCHEMBL8315368 0.80 LMNA (0.50) HPGDKMT2AMEN1TSHRLMNA
SCHEMBL1272543 0.77 ALDH1A1 (0.51) HPGDKMT2AMEN1LMNASMN1; SMN2
SCHEMBL1272541 0.77 ALDH1A1 (0.51) HPGDKMT2AMEN1LMNASMN1; SMN2
SCHEMBL3759901 0.76 LMNA (0.72) HPGDKMT2AMEN1LMNASMN1; SMN2
Acetic Acid SCHEMBL28119023 0.76 ALDH1A1 (0.57) HPGDKMT2AMEN1TSHRLMNA
SCHEMBL13173377 0.75 HPGD (0.73) HPGDKMT2AMEN1TSHRLMNA
SCHEMBL2608954 0.75 KMT2A (0.58) HPGDKMT2AMEN1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861249-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1998-09-02 EP disclosed
US-5753660-A Substituted sulfonylalkanoylamino hydroxyethylamino sulfonamide retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-05-19 US disclosed
WO-1997018205-A1 SUBSTITUTED SULFONYLALKANOYLAMINO HYDROXYETHYLAMINO SULFONAMIDE RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1997-05-22 WO disclosed