SCHEMBL9375422

SCHEMBL9375422

COc1ccc2c(=O)oc(=O)n(Cc3ccccc3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
MIF P14174 7/20 0.56
CD74 P04233 4/20 0.56
PLA2G2A P14555 2/20 0.54
PLA2G10 O15496 1/20 0.53
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
CNR2 P34972 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
NTRK1 P04629 1/20 0.48
P2RX4 Q99571 1/20 0.48

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
SCHEMBL2860677 0.84 P2RX4 (0.68) POLBMIFMAPK1KMT2AP2RX4
SCHEMBL16565537 0.84 MIF (0.76) POLBMIFCD74KMT2A
SCHEMBL2866988 0.83 MEN1 (0.56) POLBMIFCD74PLA2G10TSHR
SCHEMBL26124443 0.81 IDO1 (0.57) MIFCD74
SCHEMBL9371190 0.80 MIF (0.71) POLBMIFCD74KMT2A
SCHEMBL7324840 0.80 MIF (0.55) POLBMIFCD74MAPK1P2RX4
SCHEMBL2859999 0.80 KDM4E (0.53) POLBMIFCD74TSHRMAPK1
SCHEMBL1522607 0.79 MIF (0.66) POLBMIFCD74MAPK1KMT2A
SCHEMBL2862612 0.79 IDO1 (0.56) DRD4
SCHEMBL3471153 0.78 KMT2A (0.68) PLA2G2APLA2G10TSHRMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0353778-B1 Pyrrolo[1,4]benzodiazepine derivatives SHIONOGI & CO (JP) 1994-11-02 EP disclosed
US-4923984-A TREATMENT OF SENILE DEMENTIA, PSYCHONEUROSIS, AMNESIA SHIONOGI & CO., LTD. (JP) 1990-05-08 US disclosed
EP-0353778-A2 Pyrrolo[1,4]benzodiazepine derivatives SHIONOGI & CO., LTD. (JP) 1990-02-07 EP disclosed