SCHEMBL8620512

SCHEMBL8620512

O=C(NCC1c2ccccc2COc2ccc(Br)cc21)Nc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.41
NPC1 O15118 6/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
MAPK14 Q16539 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TBXAS1 P24557 1/20 0.38

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
SCHEMBL8616314 0.89 TBXA2R (0.39) ALDH1A1HPGDTSHRMAPTTP53
SCHEMBL8798158 0.82 KMT2A (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9329616 0.80 TBXAS1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL8615719 0.79 TBXAS1 (0.41) SMN1; SMN2ALDH1A1LMNATAS1R3TAS1R1
SCHEMBL8613749 0.78 LPAR1 (0.45) TBXAS1
SCHEMBL8614659 0.77 TBXAS1 (0.39) KMT2AHPGDTSHRTP53POLB
SCHEMBL8620383 0.76 TBXAS1 (0.43) ALDH1A1MAPTTP53TDP1TBXAS1
SCHEMBL8618759 0.76 TBXA2R (0.40) MEN1KMT2ATSHRMAPTTP53
SCHEMBL8617506 0.73 TBXA2R (0.46) TBXAS1
SCHEMBL9063452 0.69 HTR2A (0.61)

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-0588608-B1 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1998-05-06 EP disclosed
EP-0588608-A2 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-03-23 EP disclosed