SCHEMBL28890242

SCHEMBL28890242

N#Cc1ccn2c(C(=O)c3ccc(Cl)cc3)c(Br)c(-c3ccccc3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FNTA P49354 1/20 0.38
▸ FNTB P49356 1/20 0.38

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
SCHEMBL28406808 0.92 KMT2A (0.44) KMT2A
SCHEMBL28411193 0.87 MAPT (0.44) MAPTNPSR1KMT2A
SCHEMBL28407126 0.85 KMT2A (0.40) KMT2AFNTAFNTB
SCHEMBL9097606 0.65 BACE1 (0.39) MAPTNPSR1KMT2A
SCHEMBL8721290 0.64 FASN (0.41) MAPTKMT2A
SCHEMBL11445310 0.64 VNN1 (0.61) L3MBTL1
SCHEMBL9694596 0.62 TSHR (0.59) MAPTKMT2A
SCHEMBL9022977 0.62 CCR2 (0.43) MAPTPOLBNPSR1KMT2ACYP1A2
SCHEMBL27211489 0.61 MAPT (0.44) MAPTPOLBNPSR1KMT2ACYP1A2
SCHEMBL10874927 0.61 SRD5A2 (0.65) MAPTPOLBKMT2ACYP1A2

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
CN-111217812-A Process for preparing 2-bromoindolizine derivatives 淮阴师范学院 2020-06-02 — — CN disclosed
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