SCHEMBL29632579

SCHEMBL29632579

COc1ccc(COc2nc(Cl)cc(OC)c2C(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP3A4 P08684 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
CSF1R P07333 1/20 0.42
MAOB P27338 4/20 0.42
MAOA P21397 3/20 0.42
FFAR1 O14842 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TNFRSF1A P19438 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL24936291 1.00 KMT2A (0.45) KMT2AMTNR1AMTNR1BSMN1; SMN2POLB
SCHEMBL24945473 0.89 TNFRSF1A (0.40) KMT2AMTNR1AMTNR1BSMN1; SMN2POLB
SCHEMBL26608385 0.83 MTNR1A (0.46) KMT2AMTNR1AMTNR1BSMN1; SMN2POLB
SCHEMBL24977302 0.80 KMT2A (0.52) KMT2AMTNR1AMTNR1BSMN1; SMN2POLB
SCHEMBL29568731 0.79 CA9 (0.47) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL18865341 0.79 CA9 (0.47) MTNR1AMTNR1BSMN1; SMN2NPC1RAB9A
SCHEMBL24936289 0.78 ALDH1A1 (0.42) SMN1; SMN2POLBNPC1RAB9AMAPK1
SCHEMBL29632406 0.78 ALDH1A1 (0.42) SMN1; SMN2POLBNPC1RAB9AMAPK1
SCHEMBL26601614 0.76 POLB (0.49) KMT2AMTNR1AMTNR1BSMN1; SMN2POLB
SCHEMBL26601891 0.75 NPSR1 (0.43) KMT2AMTNR1AMTNR1BSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119403571-A Therapeutic agent for cancer having therapeutic resistance to immune checkpoint inhibitor 住友制药株式会社 2025-02-07 CN disclosed
WO-2023229032-A1 THERAPEUTIC FOR CANCER REFRACTORY TO IMMUNE CHECKPOINT INHIBITOR 住友ファーマ株式会社 2023-11-30 WO disclosed
CN-116546974-A 5-heteroaryl-1H-pyrazol-3-amine derivatives 住友制药株式会社 2023-08-04 CN disclosed
WO-2022114189-A1 5-HETEROARYL-1H-PYRAZOL-3-AMINE DERIVATIVE 住友ファーマ株式会社 2022-06-02 WO disclosed