SCHEMBL8805573

SCHEMBL8805573

O=C(Cc1cn(Cc2ccccc2)c2ccccc12)Nc1cccnc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.71
ALDH1A1 P00352 5/20 0.57
YES1 P07947 1/20 0.54
KDR P35968 1/20 0.54
JAK3 P52333 1/20 0.54
LMNA P02545 5/20 0.51
FNTA P49354 1/20 0.51
FNTB P49356 1/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.48
CYP19A1 P11511 1/20 0.48
RECQL P46063 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL9054478 0.89 YES1 (0.68) HTR2CALDH1A1YES1KDRJAK3
SCHEMBL18229435 0.89 LMNA (0.59) HTR2CALDH1A1YES1KDRJAK3
SCHEMBL8804260 0.88 YES1 (0.69) HTR2CALDH1A1YES1KDRJAK3
SCHEMBL28374626 0.83 ALDH1A1 (0.62) HTR2CALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL26391933 0.83 HTR2C (1.00) HTR2CALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8804773 0.82 PTPN5 (0.64) ALDH1A1LMNAMAPTSMN1; SMN2MAPK1
SCHEMBL3854264 0.80 TUBB4A (0.67) HTR2CALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9055521 0.80 YES1 (0.81) HTR2CALDH1A1YES1KDRJAK3
SCHEMBL9055555 0.80 GAA (0.65) HTR2CALDH1A1LMNAMAPK1GAA
SCHEMBL8416372 0.80 YES1 (0.67) ALDH1A1YES1KDRJAK3FNTA

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-0775131-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA Medica Aktiengesellschaft (DE) 1997-05-28 EP disclosed
WO-1996004266-A2 INDOL, INDAZOL, PYRIDOPYRROL AND PYRIDOPYRAZOL DERIVATIVES WITH ANTI-ASTHMATIC, ANTI-ALLERGIC, ANTI-INFLAMMATORY AND IMMUNOMODULATING EFFECTS ASTA MEDICA AKTIENGESELLSCHAFT (DE) 1996-02-15 WO disclosed