SCHEMBL22152198

SCHEMBL22152198

Cc1nc2ccc(Br)cc2n1CCCO

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 1/20 0.44
GALR3 O60755 1/20 0.43
NR2F2 P24468 1/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
TLR8 Q9NR97 1/20 0.39
NUDT1 P36639 1/20 0.39
BACE1 P56817 1/20 0.39
POLB P06746 1/20 0.38
FABP4 P15090 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
SCHEMBL26979174 0.91 KMT2A (0.56) TSHRKMT2ACYP1A2GALR3NR2F2
SCHEMBL18732125 0.83 ALDH1A1 (0.45) TSHRCYP1A2GALR3NR2F2LMNA
SCHEMBL14247241 0.82 BACE1 (0.58) KMT2ACYP1A2LMNATP53HTT
SCHEMBL23042330 0.82 MTNR1A (0.45) TSHRKMT2ALMNATP53HTT
SCHEMBL17678058 0.81 P2RX7 (0.46) TSHRCYP1A2GALR3NR2F2LMNA
SCHEMBL21803208 0.80 KDM4E (0.51) TSHRKMT2ACYP1A2GALR3NR2F2
SCHEMBL18732123 0.79 PKM (0.46) TSHRKMT2ACYP1A2GALR3NR2F2
SCHEMBL22152416 0.79 HDAC1 (0.39) KMT2ALMNATP53HTTMAPT
SCHEMBL21025767 0.78 LMNA (0.58) LMNAMAPT
SCHEMBL22122305 0.77 GALR3 (0.42) TSHRKMT2AGALR3NR2F2LMNA

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-2020132597-A1 COMPOUNDS THAT PARTICIPATE IN COOPERATIVE BINDING AND USES THEREOF Revolution Medicines, Inc. (US) 2020-06-25 WO disclosed