SCHEMBL21397880

SCHEMBL21397880

O=C(OO)c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.61
LTA4H P09960 1/20 0.56
NAPRT Q6XQN6 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 1/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 1/20 0.47
MPO P05164 1/20 0.46

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
SCHEMBL9320653 0.88 HSD17B10 (0.50) HSD17B10LTA4HNAPRTCYP1A2CYP2C19
SCHEMBL647632 0.82 HSD17B10 (0.64) HSD17B10LTA4HNAPRTCYP1A2CYP2C19
SCHEMBL1286650 0.81 CES2 (0.48) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL29112554 0.78 CES2 (0.46) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL28597958 0.78 CES2 (0.46) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL11880655 0.78 CES2 (0.46) CYP1A2LMNASMN1; SMN2ALDH1A1KMT2A
Methyl Isonicotinate SCHEMBL180574 0.78 CYP1A2 (0.60) HSD17B10NAPRTCYP1A2CYP2C19LMNA
SCHEMBL1480310 0.78 HSD17B10 (0.59) HSD17B10NAPRTCYP1A2CYP2C19LMNA
Methyl Isonicotinate SCHEMBL820082 0.78 CYP1A2 (0.60) HSD17B10NAPRTCYP1A2CYP2C19LMNA
SCHEMBL1615795 0.78 HSD17B10 (0.59) HSD17B10NAPRTCYP1A2CYP2C19LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023102793-A1 SECONDARY BATTERY AND ELECTRICAL APPARATUS COMPRISING SAME 宁德时代新能源科技股份有限公司 2023-06-15 WO claimed
WO-2023185986-A1 BCL-XL INHIBITORS BEIGENE , LTD. (KY) 2023-10-05 WO disclosed
WO-2023102793-A1 SECONDARY BATTERY AND ELECTRICAL APPARATUS COMPRISING SAME 宁德时代新能源科技股份有限公司 2023-06-15 WO disclosed
CN-108842932-B High-adhesion polyolefin anti-adhesion film and preparation method thereof 江苏优珀斯材料科技有限公司 2021-03-19 CN disclosed
CN-109021858-B Weather-resistant release film and preparation method thereof 江苏优珀斯材料科技有限公司 2021-01-01 CN disclosed
CN-108839416-B High-surface-energy self-adhesive film and preparation method thereof 江苏优珀斯材料科技有限公司 2020-05-22 CN disclosed
WO-2019180653-A1 COMPOSITIONS, MATERIALS, AND METHODS FOR DEACTIVATING TOXIC AGENTS INSTITUTE FOR STEM CELL BIOLOGY AND REGENERATIVE MEDICINE (INSTEM) (IN) 2019-09-26 WO disclosed