SCHEMBL21187136

SCHEMBL21187136

COc1cc(C2CCC(N/C(=N/I)Nc3ccc(Cl)cc3)CC2)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
FPR1 P21462 9/20 0.37
FPR2 P25090 5/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL21187130 0.93 SMN1; SMN2 (0.39) SMN1; SMN2FPR1FPR2KMT2AMEN1
SCHEMBL21187146 0.84 SMN1; SMN2 (0.41) SMN1; SMN2FPR1FPR2KMT2AMEN1
SCHEMBL21187220 0.81 FPR2 (0.38) FPR1FPR2KMT2AMEN1ALDH1A1
SCHEMBL21187148 0.78 MAOA (0.45) SMN1; SMN2FPR1FPR2KMT2AALDH1A1
SCHEMBL21187193 0.78 THRB (0.38) SMN1; SMN2ALDH1A1EPHX2THRB
SCHEMBL21187127 0.78 THRB (0.38) SMN1; SMN2ALDH1A1EPHX2THRB
SCHEMBL21187123 0.78 THRB (0.38) SMN1; SMN2ALDH1A1EPHX2THRB
SCHEMBL21187155 0.77 KMT2A (0.37) SMN1; SMN2KMT2AMEN1ALDH1A1EPHX2
SCHEMBL21187135 0.76 EPHX2 (0.40) SMN1; SMN2KMT2AMEN1EPHX2L3MBTL1
SCHEMBL17258589 0.73 QDPR (0.49) ALDH1A1

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-2019141095-A1 AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 四川科伦博泰生物医药股份有限公司 2019-07-25 WO disclosed