SCHEMBL9757049

SCHEMBL9757049

C=C(c1cccc(O)c1)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ AKR1C4 P17516 1/20 0.37
▸ AKR1C3 P42330 1/20 0.37
▸ AKR1C2 P52895 1/20 0.37
▸ AKR1C1 Q04828 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL3228023 0.83 CNR2 (0.43) NR4A2CNR2MEN1ALDH1A1KMT2A
SCHEMBL9335423 0.82 PRSS1 (0.38) NR4A2CNR2MAPTSMN1; SMN2AR
SCHEMBL9335553 0.81 UNG (0.41) NR4A2CNR2MEN1ALDH1A1KMT2A
SCHEMBL9339015 0.80 CBLB (0.41) NR4A2CNR2ARCYSLTR2CYSLTR1
SCHEMBL4957637 0.79 MAPT (0.44) CNR2TSHRMEN1ALDH1A1KMT2A
SCHEMBL9756946 0.77 CYSLTR2 (0.45) NR4A2CNR2MEN1ALDH1A1KMT2A
SCHEMBL2050999 0.75 MEN1 (0.39) CNR2TSHRMEN1ALDH1A1KMT2A
SCHEMBL18463776 0.72 NR4A2 (0.43) NR4A2CNR2MEN1ALDH1A1KMT2A
SCHEMBL10403176 0.71 CYSLTR2 (0.60) NR4A2TSHRMEN1ALDH1A1KMT2A
SCHEMBL10403047 0.71 CYSLTR2 (0.60) NR4A2TSHRMEN1ALDH1A1KMT2A

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
WO-1991019475-A2 QUINOLINYL-BENZOHETEROBICYCLIC DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1991-12-26 — — WO disclosed
US-5041453-A Quinolinyl-benzoheterobicyclic derivatives as antagonists of leukotriene D4 RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1991-08-20 — — US disclosed
Send feedback