SCHEMBL22019591

SCHEMBL22019591

O=C(c1cccc(C(F)(F)F)c1)c1cnc(N2CCCCC2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
HPGD P15428 1/20 0.53
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
MLYCD O95822 3/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
RAF1 P04049 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
SCHEMBL21962568 0.99 LMNA (0.51) LMNAPOLBHPGDKDM4EMEN1
SCHEMBL21962779 0.96 MLYCD (0.49) LMNAPOLBHPGDKDM4EMEN1
SCHEMBL21962713 0.89 RAF1 (0.59) POLBHPGDKDM4EMAPTKMT2A
SCHEMBL21962542 0.89 RAF1 (0.48) LMNAHPGDKDM4EMAPTMLYCD
SCHEMBL21962734 0.88 MLYCD (0.46) LMNAPOLBHPGDMLYCDHDAC3
SCHEMBL21962674 0.88 SCD (0.47) LMNAHPGDKDM4EMAPTMLYCD
SCHEMBL21962458 0.87 SCD (0.46) LMNAHPGDKDM4EMAPTMLYCD
SCHEMBL22020041 0.85 ALDH1A1 (0.47) MEN1MAPTKMT2AMLYCDHDAC3
SCHEMBL22019136 0.85 SRD5A2 (0.43) LMNAPOLBHPGDKDM4EMEN1
SCHEMBL21962395 0.85 SRD5A2 (0.43) LMNAPOLBHPGDKDM4EMEN1

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-2020102575-A1 HETEROCYCLIC AMINOTHIAZOLES AND USES THEREOF INCEPTION IBD, INC. (US) 2020-05-22 WO disclosed