SCHEMBL21962640

SCHEMBL21962640

CC1C(O)CCN1c1ncc(C(=O)c2cccc(S(C)(=O)=O)c2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 7/20 0.38
MLYCD O95822 1/20 0.38
LMNA P02545 3/20 0.35
KRAS P01116 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL21962749 1.00 VNN1 (0.38) VNN1MLYCDLMNAKRASALDH1A1
SCHEMBL22020542 1.00 VNN1 (0.38) VNN1MLYCDLMNAKRASALDH1A1
SCHEMBL22019155 0.81 MLYCD (0.40) VNN1MLYCDALDH1A1LOXL2HTT
SCHEMBL21962565 0.81 RAF1 (0.42) VNN1MLYCDLOXL2RAF1BRAF
SCHEMBL21962698 0.81 VNN1 (0.38) VNN1MLYCDLMNAKRASALDH1A1
SCHEMBL22020543 0.81 MLYCD (0.40) VNN1MLYCDALDH1A1LOXL2HTT
SCHEMBL22020520 0.81 RAF1 (0.42) VNN1MLYCDLOXL2RAF1BRAF
SCHEMBL21962638 0.81 MLYCD (0.40) VNN1MLYCDALDH1A1LOXL2HTT
SCHEMBL21962836 0.81 RAF1 (0.44) VNN1MLYCDALDH1A1LOXL2HTT
SCHEMBL21962778 0.80 MLYCD (0.48) VNN1MLYCDLMNAALDH1A1SMN1; SMN2

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 claimed