SCHEMBL18399591

SCHEMBL18399591

C=Cc1c(NN)ncc(NC(=O)C2CCCCCCC2)c1C1CCCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.45
HDAC1 Q13547 5/20 0.45
HDAC2 Q92769 5/20 0.45
ABL1 P00519 2/20 0.38
TSHR P16473 1/20 0.37
CETP P11597 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
PTPN1 P18031 2/20 0.36
PTPN2 P17706 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 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
SCHEMBL18399589 0.89 HDAC3 (0.42) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL22853573 0.89 HDAC3 (0.42) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL19059670 0.89 HDAC3 (0.42) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL20368736 0.89 HDAC3 (0.42) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL22138687 0.85 HDAC1 (0.46) HDAC3HDAC1HDAC2TSHRCETP
SCHEMBL22853730 0.83 SMN1; SMN2 (0.45) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL22018237 0.83 ADCY1 (0.42) HDAC3HDAC1HDAC2NPC1RAB9A
SCHEMBL22018432 0.81 HDAC3 (0.42) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL19059690 0.81 HDAC3 (0.41) HDAC3HDAC1HDAC2ABL1TSHR
SCHEMBL18399552 0.81 HDAC3 (0.41) HDAC3HDAC1HDAC2ABL1TSHR

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
US-9550765-B2 Thiazolecarboxamides and pyridinecarboxamide compounds useful as Pim kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-01-24 US disclosed