SCHEMBL7843617

SCHEMBL7843617

Nc1ccc2cnccc2c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.61
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
EP300 Q09472 1/20 0.53
KAT2B Q92831 1/20 0.53
KAT8 Q9H7Z6 1/20 0.53
KDM4E B2RXH2 2/20 0.50
MAPKAPK2 P49137 1/20 0.50
ERN1 O75460 1/20 0.47
CACNA1B Q00975 2/20 0.46
AXL P30530 1/20 0.44
P4HB P07237 1/20 0.39
AOC1 P19801 1/20 0.38
AOC3 Q16853 1/20 0.38
HTT P42858 2/20 0.38
PRKCZ Q05513 1/20 0.38

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
SCHEMBL9827957 0.79 ERN1 (0.59) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7842033 0.76 ERN1 (0.56) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL252216 0.76 IMPDH2 (1.00) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2162254 0.76 IMPDH2 (1.00) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL25268695 0.76 IMPDH2 (0.52) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL28208069 0.76 KDM4E (0.50) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL445595 0.75 IMPDH2 (0.58) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7097869 0.74 SIRT3 (0.47) IMPDH2LMNACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL1000639 0.73 CYP3A4 (0.96) IMPDH2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL17301310 0.73 IMPDH2 (0.53) IMPDH2LMNACYP1A2CYP3A4CYP2D6

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-0656893-B1 PHOTOCHROMIC OXAZINE COMPOUNDS RODENSTOCK OPTIK G (DE) 2001-12-12 EP claimed
US-5801243-A REACTING A SUBSTITUTED ALDEHYDE WITH A SUBSTITUTED ORTHO-AMINO-HYDROXY AROMATIC COMPOUND OPTISCHE WERKE G. RODENSTOCK (DE) 1998-09-01 US claimed