SCHEMBL21036099

SCHEMBL21036099

O=C(Nc1cn(Cc2ccc(F)cc2)c2ccccc12)C1=CC=CNN1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CNR2 P34972 3/20 0.44
SLC5A1 P13866 1/20 0.43
SLC5A2 P31639 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
APP P05067 1/20 0.43
SNCA P37840 1/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL17038770 0.91 TUBB4A (0.46) ALDH1A1MAPTHTTKMT2ACNR2
SCHEMBL21036097 0.90 HDAC1 (0.44) POLBALDH1A1MAPTTP53KMT2A
SCHEMBL23188087 0.89 HTR6 (0.42) POLBALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL21036909 0.87 HTT (0.48) POLBALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL23188054 0.84 HSD17B13 (0.39) ALDH1A1
SCHEMBL17195555 0.76 HDAC6 (0.57) POLBALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL17039017 0.75 MEN1 (0.52) POLBALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL17038755 0.75 POLB (0.52) POLBALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL17199375 0.74 POLB (0.51) POLBALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL17038739 0.74 POLB (0.51) POLBALDH1A1MAPTHTTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107902-B1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIV CORNELL CENTER FOR TECHNOLOGY ENTERPRISE & COMMERCIALIZATION CCTEC (US) 2021-04-07 EP disclosed
WO-2019104067-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR CORNELL UNIVERSITY (US) 2019-05-31 WO disclosed