SCHEMBL8346644

SCHEMBL8346644

COc1cccc(-c2csc(-n3cnc4ccccc43)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.60
MAPT P10636 6/20 0.53
ALDH1A1 P00352 4/20 0.53
HSD17B10 Q99714 4/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.53
CYP19A1 P11511 1/20 0.52
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 3/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MMP2 P08253 2/20 0.48
MMP8 P22894 2/20 0.48
ATP4A P20648 1/20 0.47
ATP4B P51164 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
SCHEMBL8345591 0.87 HTT (0.59) FGFR1MAPTALDH1A1HPGDLMNA
SCHEMBL8343426 0.82 FGFR1 (0.56) FGFR1MAPTALDH1A1HSD17B10HPGD
SCHEMBL8343437 0.82 FGFR1 (0.51) FGFR1MAPTALDH1A1HPGDMEN1
SCHEMBL8346813 0.80 FGFR1 (0.47) FGFR1MAPTLMNAMEN1KMT2A
SCHEMBL16158430 0.78 FGFR1 (0.86) FGFR1ALDH1A1HPGDHTTMAPK1
SCHEMBL8346864 0.77 KMT2A (0.57) MAPTALDH1A1HSD17B10HPGDCYP19A1
SCHEMBL8346599 0.77 FGFR1 (0.60) FGFR1MAPTALDH1A1LMNAPDE3B
SCHEMBL8347592 0.77 CYP19A1 (0.51) FGFR1ALDH1A1CYP19A1PDE3BPDE3A
SCHEMBL16158542 0.77 FGFR1 (0.75) FGFR1MAPTALDH1A1HPGDKMT2A
SCHEMBL13900850 0.76 FGFR1 (0.60) FGFR1MAPTALDH1A1HSD17B10HPGD

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-5958950-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1999-09-28 US claimed
US-5958950-A CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1999-09-28 US disclosed