SCHEMBL22147289

SCHEMBL22147289

C=C/C=C\c1oc2ccc(-c3ccc(Br)cc3)cc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 1/20 0.40
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
MAOB P27338 2/20 0.38
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
PTGES O14684 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CASP6 P55212 1/20 0.32
KCNH2 Q12809 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL19595940 0.86 CDK9 (0.40) CDK9DYRK1ADYRK2KMT2AMEN1
SCHEMBL22356518 0.82 PLA2G2A (0.38) CDK9DYRK1ADYRK2KDM4EMAPT
SCHEMBL24961104 0.80 PLA2G2A (0.38) CDK9DYRK1ADYRK2MAPTALDH1A1
SCHEMBL24718901 0.80 PLA2G2A (0.36) CDK9DYRK1ADYRK2MAOBKDM4E
SCHEMBL20975804 0.80 ALDH1A1 (0.38) KMT2AKDM4ESMN1; SMN2MAPTMAPK1
SCHEMBL22063393 0.80 L3MBTL1 (0.36) CDK9DYRK1ADYRK2MAOBKMT2A
SCHEMBL22213009 0.77 SMN1; SMN2 (0.41) CDK9DYRK1ADYRK2KMT2AMEN1
SCHEMBL22766711 0.77 PLA2G2A (0.34) CDK9DYRK1ADYRK2MAOBL3MBTL1
SCHEMBL22766735 0.76 MAOA (0.36) CDK9DYRK1ADYRK2MAOBKMT2A
SCHEMBL20071932 0.75 L3MBTL1 (0.36) CDK9DYRK1ADYRK2KMT2AMEN1

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
EP-3670510-A2 BENZO[B]NAPHTHO[2,3-D]FURANYL- OR BENZO[B]NAPHTHO[2,3-D]THIOPHENYL-TRIAZINE COMPOUNDS FOR ORGANIC ELECTRONIC ELEMENTS Duk San Neolux Co., Ltd. (KR) 2020-06-24 EP disclosed