SCHEMBL11430231

SCHEMBL11430231

Cc1ccc2cccnc2c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 4/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 2/20 0.50
MMP2 P08253 2/20 0.50
TSHR P16473 2/20 0.50
GMNN O75496 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MMP9 P14780 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL28189404 0.82 LMNA (0.51) LMNAALDH1A1KDM4ECCR1CCR5
SCHEMBL9945612 0.82 LMNA (0.51) LMNAALDH1A1KDM4ECCR1CCR5
SCHEMBL16040593 0.81 ALDH1A1 (0.60) LMNAALDH1A1KDM4ECCR1CCR5
SCHEMBL29906219 0.81 ALDH1A1 (0.70) LMNAALDH1A1KDM4ECCR1CCR5
SCHEMBL31057838 0.81 ALDH1A1 (0.60) LMNAALDH1A1KDM4ECCR1CCR5
SCHEMBL69869 0.81 ALDH1A1 (0.70) LMNAALDH1A1KDM4ECCR1CCR5
SCHEMBL9197665 0.79 ALDH1A1 (0.54) LMNAALDH1A1KDM4ECCR1CCR5
SCHEMBL27908512 0.79 ALDH1A1 (0.54) LMNAALDH1A1KDM4ECCR1CCR5
SCHEMBL4076198 0.79 ALDH1A1 (0.54) LMNAALDH1A1KDM4ECCR1CCR5
SCHEMBL3756602 0.79 SLC40A1 (0.52) LMNAALDH1A1KDM4ECCR1CCR5

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
US-4186201-A ANTIALLERGIC AGENTS RIKER LABORATORIES, INC. (US) 1980-01-29 US disclosed
US-4147694-A ANTIALLERGENS, ANTIHISTAMINES RIKER LABORATORIES, INC. (US) 1979-04-03 US disclosed