SCHEMBL22014798

SCHEMBL22014798

CCOc1ccc(N2CC3CN(C(=O)CS(=O)(=O)CCN)CC2C(C)(C)C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 1/20 0.32
YAP1 P46937 1/20 0.32
TEAD4 Q15561 1/20 0.32
TEAD2 Q15562 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PTGS2 P35354 2/20 0.32
CNR2 P34972 1/20 0.32
FFAR1 O14842 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FKBP1A P62942 1/20 0.31
ACACB O00763 1/20 0.31

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
SCHEMBL21963759 1.00 MEN1 (0.33) MEN1KMT2ATP53TSHRUSP2
SCHEMBL22015449 1.00 MEN1 (0.33) MEN1KMT2ATP53TSHRUSP2
SCHEMBL24209291 1.00 MEN1 (0.33) MEN1KMT2ATP53TSHRUSP2
SCHEMBL21963773 0.89 MEN1 (0.34) MEN1KMT2ATP53TSHRUSP2
SCHEMBL21963821 0.86 KMT2A (0.35) KMT2ATSHRALDH1A1GAACNR2
SCHEMBL24209087 0.86 KMT2A (0.35) KMT2ATSHRALDH1A1GAACNR2
SCHEMBL24209061 0.86 KMT2A (0.35) KMT2ATSHRALDH1A1GAACNR2
Hydrochloric Acid SCHEMBL22555742 0.86 KMT2A (0.36) MEN1KMT2ATP53TSHRUSP2
SCHEMBL28923004 0.86 GPR119 (0.33) MEN1KMT2ATP53TSHRUSP2
SCHEMBL24208978 0.85 ALDH1A1 (0.38) MEN1KMT2AALDH1A1GAACNR2

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-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 WO disclosed