SCHEMBL7776237

SCHEMBL7776237

CCCCCc1nc2c(Br)sc(Br)c2nc1CCCCC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KCNH2 Q12809 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
DHFR P00374 1/20 0.31
GPR84 Q9NQS5 1/20 0.31

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
SCHEMBL7775808 0.98 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KCNH2PKM
SCHEMBL14876721 0.98 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KCNH2PKM
SCHEMBL28062511 0.98 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KCNH2PKM
SCHEMBL28062512 0.98 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KCNH2PKM
SCHEMBL14876707 0.89 ATM (0.38) ALDH1A1KCNH2PKMHPGDGPR84
SCHEMBL19625907 0.78 KCNH2 (0.46) MEN1KMT2AALDH1A1KCNH2PKM
SCHEMBL3822615 0.76 ALDH1A1 (0.39) MEN1KMT2AALDH1A1KCNH2TDP1
SCHEMBL8937095 0.74 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KCNH2TDP1
SCHEMBL15965435 0.74 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KCNH2TDP1
SCHEMBL621757 0.74 KCNH2 (0.46) ALDH1A1KCNH2TDP1L3MBTL1DHFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885251-B1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AG (DE) 2001-08-16 EP disclosed
US-6242561-B1 USED AS SEMICONDUCTORS; ELECTROCHROMIC AND ANTISTATIC PROPERTIES BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed