SCHEMBL27628474

SCHEMBL27628474

c1ccc(-c2c[nH]nc2-c2ccccn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.49
NPY5R Q15761 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LRRK2 Q5S007 1/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
METAP1 P53582 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
DOHH Q9BU89 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
HPGDS O60760 3/20 0.41
CYP2A6 P11509 1/20 0.41

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
SCHEMBL10040945 0.90 KDM4E (0.48) TGFBR1NPY5RNPC1RAB9ASMN1; SMN2
SCHEMBL154508 0.88 TGFBR1 (0.56) TGFBR1PIM1PIM2
SCHEMBL29504110 0.88 TGFBR1 (0.56) TGFBR1PIM1PIM2
SCHEMBL8113038 0.88 SMN1; SMN2 (0.46) TGFBR1NPY5RNPC1RAB9ASMN1; SMN2
SCHEMBL3463943 0.87 KDM4E (0.48) NPC1RAB9ASMN1; SMN2LRRK2KDM4E
SCHEMBL8489109 0.87 L3MBTL1 (0.44) TGFBR1NPY5RSMN1; SMN2LRRK2KDM4E
SCHEMBL5490810 0.87 TGFBR1 (0.54) TGFBR1NPY5RLRRK2KDM4ELMNA
SCHEMBL28756497 0.84 LRRK2 (0.37) TGFBR1NPY5RNPC1RAB9ASMN1; SMN2
SCHEMBL29074720 0.81 CHEK2 (0.55) TGFBR1LRRK2KDM4ECYP1A2KDR
SCHEMBL218119 0.81 ALOX15 (0.52) NPC1RAB9ASMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1770980-A Pyrazoles and methods of making and using the same BIOGEN IDEC INC (US) 2006-05-10 CN claimed