SCHEMBL8549689

SCHEMBL8549689

O=Cc1cnc(Cl)c(C(=O)Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
DYRK3 O43781 1/20 0.30
CCNT1 O60563 1/20 0.30
CDK9 P50750 1/20 0.30
CDK5 Q00535 1/20 0.30
DYRK1A Q13627 1/20 0.30
CDK5R1 Q15078 1/20 0.30
DYRK2 Q92630 1/20 0.30
DYRK1B Q9Y463 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL15653224 0.85 SMN1; SMN2 (0.47) LMNASMN1; SMN2ALDH1A1L3MBTL1POLB
SCHEMBL15635234 0.80 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL8548977 0.80 PIK3C3 (0.46) LMNASMN1; SMN2ALDH1A1L3MBTL1MEN1
SCHEMBL15390858 0.77 CASP1 (0.46) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1160933 0.76 HCAR2 (0.36) LMNASMN1; SMN2ALDH1A1L3MBTL1HSD17B10
SCHEMBL29608609 0.76 HCAR2 (0.36) LMNASMN1; SMN2ALDH1A1L3MBTL1HSD17B10
SCHEMBL8545176 0.75 KDM4E (0.43) ALDH1A1L3MBTL1HSD17B10TDP1
SCHEMBL116316 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTHSD17B10TDP1
SCHEMBL29436325 0.74 ALDH1A1 (0.46) ALDH1A1L3MBTL1MAPTHSD17B10TDP1
SCHEMBL13964183 0.73 KDR (0.47) LMNASMN1; SMN2ALDH1A1KMT2AMAPT

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
EP-0702003-B1 Process for preparing 2-halogenpyridinaldehydes BAYER AG (DE) 1998-06-17 EP disclosed
US-5708180-A CYCLIZATION OF UNSATURATED NITRILE, AMIDE OR OXIME BAYER AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0702003-A2 Process for preparing 2-halogenpyridinaldehydes and new 2-halogenpyridinaldehydes BAYER AG (DE) 1996-03-20 EP disclosed