SCHEMBL20068433

SCHEMBL20068433

Brc1ccc2c(c1)c1ccccc1n2-c1nc(-c2ccccc2)c2c(n1)sc1c3ccccc3ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 2/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ PPARG P37231 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ NCOR2 Q9Y618 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ DCLK1 O15075 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ FER P16591 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ CSNK1D P48730 1/20 0.33

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
SCHEMBL18853431 0.87 KDM4E (0.36) CYP1A1CYP1B1ATMCYP1A2GAA
SCHEMBL20068439 0.86 ATM (0.35) PPARGATMRXFP1NCOR2MEN1
SCHEMBL18853406 0.84 KDM4E (0.38) CYP1A1CYP1B1ATMMAPK9CYP1A2
SCHEMBL22652229 0.82 CYP1A1 (0.36) CYP1A1CYP1B1MEN1KMT2AMAPK9
SCHEMBL20068432 0.82 DCLK1 (0.37) PPARGATMRXFP1NCOR2MEN1
SCHEMBL18026441 0.81 ATM (0.39) CYP1A1CYP1B1PPARGATMRXFP1
SCHEMBL22223536 0.77 MEN1 (0.32) CYP1A1CYP1B1MEN1KMT2ANPSR1
SCHEMBL19439407 0.77 RXFP1 (0.38) CYP1A1CYP1B1PPARGATMRXFP1
SCHEMBL16919361 0.77 ALDH1A1 (0.50) PPARGATMRXFP1NCOR2MEN1
SCHEMBL31524172 0.77 ALDH1A1 (0.50) PPARGATMRXFP1NCOR2MEN1

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-2018070824-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-04-19 — — WO disclosed
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