SCHEMBL29137726

SCHEMBL29137726

CC(OC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
APP P05067 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
AR P10275 3/20 0.35
CYP3A4 P08684 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CES2 O00748 1/20 0.35
ABCB11 O95342 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
TBXA2R P21731 1/20 0.35
AADAC P22760 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL29137724 1.00 ATM (0.41) ATMTDP1APPSMN1; SMN2AR
SCHEMBL29137738 0.90 TDP1 (0.47) ATMTDP1SMN1; SMN2ARCYP3A4
SCHEMBL24346256 0.83 TDP1 (0.46) ATMTDP1SMN1; SMN2ARCYP3A4
SCHEMBL29137740 0.83 ATM (0.46) ATMTDP1SMN1; SMN2ARCYP3A4
SCHEMBL10776718 0.82 APP (0.56) ATMTDP1APPSMN1; SMN2AR
SCHEMBL2437569 0.81 TDP1 (0.44) ATMTDP1APPSMN1; SMN2AR
SCHEMBL29137734 0.79 APP (0.41) APPALDH1A1LMNACYP1A2CYP2C9
SCHEMBL29137736 0.79 APP (0.41) APPALDH1A1LMNACYP1A2CYP2C9
SCHEMBL14434051 0.76 ATM (0.58) ATMTDP1SMN1; SMN2ARCYP3A4
SCHEMBL20703719 0.75 MAPT (0.41) ATMTDP1APPSMN1; SMN2ALDH1A1

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
CN-117384153-A Methyltransferase inhibitors and uses thereof 上海赛岚生物科技有限公司 2024-01-12 CN disclosed