SCHEMBL9873679

SCHEMBL9873679

N/C([C]=O)=C\c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
FBP1 P09467 3/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.42
CYP2C9 P11712 2/20 0.41
RECQL P46063 2/20 0.41
PLIN1 O60240 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
F3 P13726 1/20 0.41
PLIN5 Q00G26 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
CYP2A6 P11509 1/20 0.39
CYP3A4 P08684 1/20 0.38
PRMT1 Q99873 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
SCHEMBL4788216 1.00 MCL1 (0.50) MCL1FBP1ALDH1A1TSHRAKR1C3
SCHEMBL7663205 1.00 MCL1 (0.50) MCL1FBP1ALDH1A1TSHRAKR1C3
SCHEMBL3951201 0.77 MCL1 (0.60) MCL1FBP1ALDH1A1TSHRPLIN1
SCHEMBL7572848 0.77 MCL1 (0.46) MCL1FBP1ALDH1A1TSHRAKR1C3
SCHEMBL3366325 0.77 MCL1 (0.60) MCL1FBP1ALDH1A1TSHRPLIN1
SCHEMBL7656907 0.77 MCL1 (0.70) MCL1FBP1ALDH1A1AKR1C3AKR1C1
SCHEMBL7660280 0.77 MCL1 (0.46) MCL1FBP1ALDH1A1TSHRAKR1C3
SCHEMBL4788817 0.76 ALDH1A1 (0.46) MCL1FBP1ALDH1A1TSHRAKR1C3
SCHEMBL197670 0.76 ALDH1A1 (0.46) MCL1FBP1ALDH1A1TSHRAKR1C3
SCHEMBL7625514 0.74 MCL1 (0.43) MCL1FBP1ALDH1A1TSHRAKR1C3

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
US-4981847-A Tricyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-01 US claimed