SCHEMBL22306048

SCHEMBL22306048

C/C=N\C(=C/C)c1cccc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ C1S P09871 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL25784300 0.79 PARP1 (0.46) PARP1KDM4EPOLBSMN1; SMN2NPC1
SCHEMBL18792399 0.76 ATM (0.37) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL24934193 0.75 SMN1; SMN2 (0.40) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL5735430 0.72 C1S (0.50) C1SPARP1ALDH1A1GAAKDM4E
SCHEMBL8282535 0.72 C1S (0.50) C1SPARP1ALDH1A1GAAKDM4E
SCHEMBL2090387 0.72 C1S (0.50) C1SPARP1ALDH1A1GAAKDM4E
SCHEMBL5735423 0.72 C1S (0.50) C1SPARP1ALDH1A1GAAKDM4E
SCHEMBL18567773 0.71 C1S (0.42) C1SPARP1ALDH1A1GAAKDM4E
SCHEMBL28143826 0.69 PARP1 (0.57) C1SPARP1ALDH1A1GAAKDM4E
SCHEMBL749086 0.69 C1S (0.56) C1SPARP1ALDH1A1L3MBTL1SMN1; 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-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 — — WO disclosed
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