SCHEMBL23537705

SCHEMBL23537705

Cc1ncc(COc2ccc(N)cc2Cl)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.51
KDM4E B2RXH2 4/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MRGPRX4 Q96LA9 4/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
SYK P43405 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPGD P15428 1/20 0.35
S1PR4 O95977 1/20 0.35

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
SCHEMBL23538144 0.79 MAPT (0.63) L3MBTL1KDM4EMAPTALDH1A1LMNA
SCHEMBL23537751 0.79 HPGD (0.49) L3MBTL1KDM4EMAPTALDH1A1MRGPRX4
SCHEMBL23538009 0.79 HPGD (0.40) L3MBTL1KDM4EMAPTALDH1A1MRGPRX4
SCHEMBL23538003 0.76 NPC1 (0.39) L3MBTL1MAPTALDH1A1MRGPRX4LMNA
SCHEMBL23538138 0.76 L3MBTL1 (0.48) L3MBTL1KDM4EMAPTLMNAMEN1
SCHEMBL30729931 0.75 HTR2A (0.52) KDM4EMAPTALDH1A1MRGPRX4MEN1
SCHEMBL27096948 0.75 HTR2A (0.52) KDM4EMAPTALDH1A1MRGPRX4MEN1
SCHEMBL23538130 0.74 SYK (0.45) ALDH1A1MRGPRX4SYKCYP3A4CYP1A2
SCHEMBL15304829 0.74 MRGPRX4 (0.44) MAPTALDH1A1MRGPRX4MEN1KMT2A
SCHEMBL8308433 0.74 TDP1 (0.44) L3MBTL1MAPTMRGPRX4MEN1KMT2A

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-2021127397-A1 NITROGEN HETEROCYCLIC COMPOUNDS AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed