SCHEMBL7790434

SCHEMBL7790434

CCOP(=O)(OCC)C(Nc1ncc(C(F)(F)F)cc1Cl)P(=O)(OCC)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 5/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 3/20 0.44
HTT P42858 3/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
JAK2 O60674 1/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.43
MC4R P32245 1/20 0.43
RAB9A P51151 1/20 0.43
CCR6 P51684 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43

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
SCHEMBL7784779 0.83 CRHR1 (0.43) L3MBTL1MEN1KMT2APOLBLMNA
SCHEMBL7794289 0.79 SMN1; SMN2 (0.56) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11035118 0.74 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31390547 0.72 SMN1; SMN2 (0.59) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL31390546 0.72 SMN1; SMN2 (0.59) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6676058 0.72 SMN1; SMN2 (0.59) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3370447 0.71 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30149975 0.71 L3MBTL1 (0.63) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL6157193 0.71 SMN1; SMN2 (0.57) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL31427595 0.70 L3MBTL1 (0.61) L3MBTL1SMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0762883-B1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 2001-11-14 EP claimed
EP-0762883-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1997-03-19 EP claimed
WO-1995033466-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1995-12-14 WO claimed
US-6083938-A TREATING BONE DISEASES SELECTED FROM THE GROUP CONSISTING OF OSTEOLYTIC BONE DISEASES DUE TO MALIGNANCY, PAGET'S DISEASE AND PRIMARY AND SECONDARY OSTEOPOROSIS LEIRAS OY (FI) 2000-07-04 US disclosed
US-5866556-A BONE DISORDERS LEIRAS OY (FI) 1999-02-02 US disclosed