SCHEMBL20042827

SCHEMBL20042827

O=C(c1ccc(Cl)cc1)N1Cc2nc(C(F)(F)F)nc(N3CCC3)c2C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 2/20 0.40
MGLL Q99685 1/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
GBA1 P04062 4/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PRLHR P49683 7/20 0.39
POLB P06746 1/20 0.38
PHGDH O43175 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL20042687 0.85 HSD17B10 (0.51) HSD17B10KMT2AMGLLABL1BCR
SCHEMBL20042811 0.84 HSD17B10 (0.60) HSD17B10KMT2AGBA1MEN1HSP90AA1
SCHEMBL20042751 0.83 HSD17B10 (0.49) HSD17B10KMT2AMGLLGBA1MEN1
SCHEMBL20042711 0.81 HSD17B10 (0.50) HSD17B10KMT2AGBA1MEN1HSP90AA1
SCHEMBL20042719 0.80 HSD17B10 (0.46) HSD17B10KMT2AMGLLGBA1MEN1
SCHEMBL20042740 0.80 HSD17B10 (0.49) HSD17B10KMT2AGBA1MEN1POLB
SCHEMBL20042812 0.80 HSD17B10 (0.46) HSD17B10KMT2AMGLLGBA1MEN1
SCHEMBL20042715 0.79 HSD17B10 (0.45) HSD17B10KMT2AGBA1MEN1PRLHR
SCHEMBL20042704 0.78 P2RX7 (0.50) KMT2AABL1BCRGBA1MEN1
SCHEMBL20042810 0.78 HSD17B10 (0.46) HSD17B10KMT2AGBA1MEN1PRLHR

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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed