SCHEMBL20117008

SCHEMBL20117008

Cc1ccc(N2CC(C(=O)N3CCC(C(=N)N)CC3)CC2=O)cc1C

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
MCL1 Q07820 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL20116142 0.88 POLB (0.60) KMT2AMEN1SMN1; SMN2RAB9ATSHR
SCHEMBL21609968 0.87 KMT2A (0.52) KMT2AMEN1SMN1; SMN2RAB9ATSHR
SCHEMBL21609969 0.87 KMT2A (0.51) KMT2AMEN1SMN1; SMN2RAB9ATSHR
SCHEMBL20116652 0.87 KMT2A (0.51) KMT2AMEN1SMN1; SMN2RAB9ATSHR
SCHEMBL20676549 0.85 KMT2A (0.52) KMT2AMEN1SMN1; SMN2RAB9ATSHR
SCHEMBL20116446 0.85 KMT2A (0.57) KMT2AMEN1SMN1; SMN2RAB9AKDM4E
SCHEMBL30506338 0.85 KMT2A (0.57) KMT2AMEN1SMN1; SMN2RAB9AKDM4E
SCHEMBL20116498 0.83 RAB9A (0.52) KMT2AMEN1SMN1; SMN2RAB9ATSHR
SCHEMBL20116234 0.76 ALDH1A1 (0.63) KMT2ASMN1; SMN2TSHRKDM4EALDH1A1
SCHEMBL20116457 0.76 POLB (0.78) KMT2ASMN1; SMN2TSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed