SCHEMBL25435697

SCHEMBL25435697

O=CC=COC(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ TSHR P16473 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ EPHX1 P07099 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ CDK9 P50750 1/20 0.45
▸ CLK4 Q9HAZ1 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ TGM2 P21980 1/20 0.43
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAD51 Q06609 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ RECQL P46063 1/20 0.41

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
SCHEMBL28219382 0.81 SMN1; SMN2 (0.52) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL4153167 0.76 TGM2 (0.57) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL482921 0.76 NAPRT (0.52) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL10444074 0.74 TGM2 (0.55) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL15287341 0.73 NPC1 (0.56) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL28392201 0.72 SMN1; SMN2 (0.56) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL8827353 0.72 SMN1; SMN2 (0.61) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL2244779 0.72 SMN1; SMN2 (0.61) SMN1; SMN2TSHRTP53EPHX1EPHX2
Acetaldehyde SCHEMBL4039985 0.72 SMN1; SMN2 (0.62) SMN1; SMN2TSHRTP53EPHX1EPHX2
SCHEMBL11493852 0.72 LMNA (0.50) SMN1; SMN2TSHRTP53ALDH1A1KMT2A

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-2023078021-A1 BCMA MONOCLONAL ANTIBODY AND THE ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 — — WO disclosed
WO-2023078273-A1 SPECIFIC CONJUGATION FOR AN ANTIBODY-DRUG CONJUGATE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-05-11 — — WO disclosed
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