SCHEMBL7361875

SCHEMBL7361875

CNc1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
TDP2 O95551 1/20 0.46
RAB9A P51151 3/20 0.44
KMT2A Q03164 1/20 0.44
METAP1 P53582 1/20 0.43
PGR P06401 2/20 0.42
CYP1A2 P05177 2/20 0.41
ADRA2A P08913 1/20 0.41
MAOA P21397 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
CYP3A4 P08684 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL19678234 0.88 RAB9A (0.52) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL22079201 0.85 CHEK2 (0.44) SLC1A3SLC1A2SLC1A1TDP2RAB9A
SCHEMBL29068503 0.82 CYP1A2 (0.49) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL30572826 0.82 CYP1A2 (0.49) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL29376113 0.82 METAP1 (0.57) SLC1A3SLC1A2SLC1A1TDP2RAB9A
SCHEMBL28126153 0.82 METAP1 (0.57) SLC1A3SLC1A2SLC1A1TDP2RAB9A
SCHEMBL40823 0.82 METAP1 (0.57) SLC1A3SLC1A2SLC1A1TDP2RAB9A
Ammonia Solution, Strong SCHEMBL28144371 0.80 METAP1 (0.55) SLC1A3SLC1A2SLC1A1TDP2RAB9A
SCHEMBL27619851 0.80 METAP1 (0.55) SLC1A3SLC1A2SLC1A1TDP2RAB9A
SCHEMBL8918523 0.79 CYP1A2 (0.63) SLC1A3SLC1A2SLC1A1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023099922-A1 INSECT NEUROPEPTIDE ANALOGUES Solasta Bio Limited (GB) 2023-06-08 WO disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 WO disclosed