SCHEMBL21394776

SCHEMBL21394776

Cn1cc(C(=O)Nc2ccc(COc3cccc(Cl)c3)nn2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.46
CREBBP Q92793 1/20 0.45
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GCK P35557 2/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
F2 P00734 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL21394948 0.85 MEN1 (0.54) RXFP1CREBBPMEN1KMT2AGCK
SCHEMBL29358548 0.85 MEN1 (0.54) RXFP1CREBBPMEN1KMT2AGCK
SCHEMBL21394510 0.83 ALDH1A1 (0.48) RXFP1CREBBPLMNAMEN1KMT2A
SCHEMBL29358244 0.83 ALDH1A1 (0.48) RXFP1CREBBPLMNAMEN1KMT2A
SCHEMBL21394759 0.80 MEN1 (0.53) CREBBPMEN1KMT2AGCKNPC1
SCHEMBL29354520 0.80 MEN1 (0.53) CREBBPMEN1KMT2AGCKNPC1
SCHEMBL21395089 0.79 MEN1 (0.52) CREBBPLMNAPOLBMEN1KMT2A
SCHEMBL29353929 0.79 RAB9A (0.43) RXFP1LMNAPOLBMEN1KMT2A
SCHEMBL21394436 0.79 RAB9A (0.43) RXFP1LMNAPOLBMEN1KMT2A
SCHEMBL22479585 0.74 MEN1 (0.52) LMNAMEN1KMT2AGCKRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed