SCHEMBL10465738

SCHEMBL10465738

Br[CH]c1ccc2[nH]cnc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PRKCI P41743 1/20 0.40
▸ RAD52 P43351 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ MMP12 P39900 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ XDH P47989 1/20 0.36
▸ IP6K1 Q92551 3/20 0.34
▸ IP6K3 Q96PC2 2/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ IP6K2 Q9UHH9 1/20 0.34
▸ HDAC6 Q9UBN7 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
SCHEMBL4588444 0.81 MAPT (0.42) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL2653189 0.77 KDM4E (0.41) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL10817399 0.77 IP6K1 (0.59) MAPTKDM4EALDH1A1HDAC1IP6K1
SCHEMBL2653187 0.77 KDM4E (0.41) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL14051691 0.77 HDAC1 (0.39) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL8597913 0.74 ALDH1A1 (0.46) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL13749268 0.74 HDAC1 (0.40) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL4740274 0.74 PARP1 (0.52) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL10757 0.74 CHEK1 (0.52) MAPTKDM4EALDH1A1TDP1APEX1
SCHEMBL2606218 0.72 HDAC1 (0.39) MAPTKDM4EALDH1A1TDP1APEX1

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
US-4960783-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 — — US disclosed
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