SCHEMBL8358648

SCHEMBL8358648

NC(=O)c1cc2ccccc2n1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.64
PLA2G10 O15496 1/20 0.53
F10 P00742 3/20 0.52
LMNA P02545 3/20 0.51
VDR P11473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
PPARG P37231 1/20 0.46
SLC9A1 P19634 1/20 0.43

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
SCHEMBL3963211 0.88 CCR2 (0.73) CCR2LMNAVDRSMN1; SMN2ALDH1A1
SCHEMBL13900126 0.79 F10 (0.55) CCR2F10LMNAALDH1A1MAPT
SCHEMBL1573798 0.79 PLA2G10 (0.78) CCR2PLA2G10F10
SCHEMBL29258469 0.78 LMNA (0.46) CCR2F10LMNAVDRSMN1; SMN2
SCHEMBL3962697 0.77 CCR2 (0.62) CCR2F10ALDH1A1CYP1A2CYP3A4
SCHEMBL3966109 0.76 CCR2 (0.78) CCR2ALDH1A1CYP1A2
SCHEMBL30589608 0.76 PTGS2 (0.68) CCR2LMNAMAPTCYP1A2CYP2D6
SCHEMBL13900120 0.75 F10 (0.54) CCR2F10LMNACYP1A2PPARG
SCHEMBL13900123 0.75 PTGS2 (0.59) CCR2F10
SCHEMBL27636281 0.74 CCR2 (0.54) CCR2PLA2G10F10LMNASMN1; SMN2

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
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed