SCHEMBL9848050

SCHEMBL9848050

Cc1ccc(C)n1-c1cccc(-c2ccc(N(C)C)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
APP P05067 10/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
CNR1 P21554 1/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
GFER P55789 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
PARP1 P09874 1/20 0.38
ALPG P10696 1/20 0.38
ADK P55263 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 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
SCHEMBL2969912 0.82 RAB9A (0.54) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL6696955 0.81 RAB9A (0.42) MAPTKDM4EALDH1A1APPSMN1; SMN2
SCHEMBL11287805 0.79 MEN1 (0.52) MAPTKDM4EALDH1A1APPSMN1; SMN2
SCHEMBL6618761 0.77 KDM4E (0.38) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL13680449 0.76 CCR1 (0.56) MAPTKDM4EALDH1A1APPSMN1; SMN2
SCHEMBL6621303 0.76 KDM4E (0.50) MAPTKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL6701320 0.76 KDM4E (0.37) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL6618175 0.75 NOS1 (0.36) MAPTKDM4EALDH1A1LMNAHPGD
SCHEMBL6700787 0.75 CYP2A6 (0.53) ALDH1A1APPCYP1A2CYP3A4CYP2C9
SCHEMBL6618202 0.75 IRAK4 (0.40) MAPTKDM4EALDH1A1LMNACYP1A2

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-0451585-A2 2-aryl-6-hetarylpyridine derivatives BAYER AG (DE) 1991-10-16 EP claimed
EP-0451585-A2 2-aryl-6-hetarylpyridine derivatives BAYER AG (DE) 1991-10-16 EP disclosed