SCHEMBL8317250

SCHEMBL8317250

Cc1cc2c(Cl)nnc(Cl)c2n1CC(C)C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TLR7 Q9NYK1 2/20 0.30
GAA P10253 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL8318390 0.76 CYP11B2 (0.31) MEN1KMT2A
SCHEMBL8316729 0.74 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2TSHRLMNA
SCHEMBL2474620 0.70 HTR2A (0.32) ALDH1A1SMN1; SMN2TDP1LMNAMEN1
SCHEMBL8312333 0.67 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL20853011 0.66 CCR2 (0.38) ALDH1A1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL1735362 0.65 DYRK1A (0.37) ALDH1A1POLBSMN1; SMN2TSHRHSD17B10
SCHEMBL19448730 0.61 CCR9 (0.39) ALDH1A1POLBLMNAMAPTCYP1A2
SCHEMBL10147189 0.61 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL21233348 0.60 TDP1 (0.35) ALDH1A1SMN1; SMN2TSHRHSD17B10TDP1
SCHEMBL8315752 0.59 MEN1 (0.39) ALDH1A1POLBSMN1; SMN2TSHRHSD17B10

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-0609328-B1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEM FAB (DE) 1999-04-28 EP disclosed
US-5534515-A Pyrrolopyridazines having gastrointestinal protective effects BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-07-09 US disclosed
WO-1993008190-A1 PYRROLO-PYRIDAZINES WITH GASTRO-INTESTINAL PROTECTIVE ACTION BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1993-04-29 WO disclosed