SCHEMBL31439456

SCHEMBL31439456

COC(=O)c1ccccc1NC(=O)CN1CCNCC1C(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.53
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ PRMT5 O14744 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49
▸ TSHR P16473 6/20 0.48
▸ MAPK10 P53779 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HSD17B10 Q99714 6/20 0.48
▸ LMNA P02545 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.46
▸ AHR P35869 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL10914678 0.78 ALDH1A1 (0.72) ALDH1A1KMT2AMEN1PRMT5WDR77
SCHEMBL31439480 0.77 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1PRMT5WDR77
SCHEMBL31439562 0.76 KMT2A (0.52) ALDH1A1KMT2AMEN1PRMT5WDR77
SCHEMBL15624932 0.70 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1PRMT5WDR77
SCHEMBL5052482 0.69 KDM4E (0.77) ALDH1A1KMT2AMEN1TSHRSMN1; SMN2
SCHEMBL10502377 0.69 KMT2A (1.00) ALDH1A1KMT2ATSHRMAPK10HSD17B10
SCHEMBL5067157 0.69 KMT2A (0.61) ALDH1A1KMT2ATSHRMAPK10SMN1; SMN2
SCHEMBL8354036 0.68 MAPK10 (0.51) ALDH1A1KMT2AMEN1TSHRMAPK10
SCHEMBL3378228 0.68 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1PRMT5WDR77
SCHEMBL10679600 0.67 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1TSHRHSD17B10

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-2025015167-A2 ERASTIN KETONE ANALOGS AND USES THEREOF EXARTA THERAPEUTICS, INC. (US) 2025-01-16 — — WO disclosed
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