SCHEMBL25443769

SCHEMBL25443769

CC(C)CC(=O)Nc1ccc(NC(=O)CC(C)C)nc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.67
▸ SMN1; SMN2 Q16637 8/20 0.61
▸ HSD17B10 Q99714 2/20 0.55
▸ HPGD P15428 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ RAB9A P51151 6/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ MAPT P10636 4/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ TP53 P04637 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL19116542 0.86 SMN1; SMN2 (0.55) PTPN1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL19116525 0.84 RAB9A (0.62) SMN1; SMN2HPGDRAB9ANPC1L3MBTL1
SCHEMBL19116519 0.84 DEGS1 (0.66) PTPN1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL19116341 0.84 PTPN1 (0.67) PTPN1SMN1; SMN2HPGDLMNARAB9A
SCHEMBL31052440 0.83 PTPN1 (0.65) PTPN1SMN1; SMN2HPGDLMNARAB9A
SCHEMBL20964577 0.83 RAB9A (0.75) SMN1; SMN2HPGDLMNARAB9ANPC1
SCHEMBL19116851 0.83 PTPN1 (0.65) PTPN1SMN1; SMN2HPGDLMNARAB9A
SCHEMBL8792557 0.81 HSD17B10 (0.76) SMN1; SMN2HSD17B10LMNARAB9ANPC1
SCHEMBL19116804 0.81 KMT2A (0.71) PTPN1SMN1; SMN2LMNARAB9ANPC1
SCHEMBL21765873 0.80 PTPN1 (0.88) PTPN1SMN1; SMN2HPGDLMNARAB9A

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-20230146870-A1 METHOD TO QUANTIFY AFFINITY AND SELECTIVITY OF SMALL MOLECULES FOR PROTEINS IN LIVING CELLS OHIO STATE INNOVATION FOUNDATION 2023-05-11 — — US disclosed
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