SCHEMBL6198040

SCHEMBL6198040

CCOc1ccc(-c2c(C)[nH]c(C)c2C(C)=O)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
RORC P51449 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 5/20 0.43
HTT P42858 3/20 0.43
AR P10275 1/20 0.42
RAB9A P51151 3/20 0.41
LMNA P02545 3/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 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
SCHEMBL6198535 0.79 RAB9A (0.54) KMT2AMEN1SMN1; SMN2HPGDRXFP1
SCHEMBL9145276 0.74 CREBBP (0.55) ERN1RORCKMT2AMEN1SMN1; SMN2
SCHEMBL6197205 0.73 KCNH2 (0.44) ERN1RORCKMT2AMAPTRAB9A
SCHEMBL8204769 0.70 CREBBP (0.66) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5004961 0.70 ALDH1A1 (0.62) RORCKMT2AMEN1SMN1; SMN2MAPT
SCHEMBL10927299 0.70 KMT2A (0.68) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL6469818 0.69 KMT2A (0.67) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL6195538 0.69 KMT2A (0.48) KMT2AMEN1SMN1; SMN2HPGDRXFP1
SCHEMBL5347979 0.69 MEN1 (0.60) ERN1RORCKMT2AMEN1SMN1; SMN2
SCHEMBL30532585 0.67 KMT2A (0.56) KMT2AMEN1SMN1; SMN2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539168-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004006836-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS MERCK & CO., INC. (US) 2004-01-22 WO disclosed