SCHEMBL23712224

SCHEMBL23712224

CC1=CC=C(Oc2nc(Oc3ccccc3)nc(Oc3ccc(C)cc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.41
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 2/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.34
FFAR1 O14842 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GLA P06280 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL13985334 0.81 TEAD4 (0.42) HTTSMN1; SMN2GAACYP2C9MEN1
SCHEMBL12462708 0.81 LTA4H (0.42) HTTSMN1; SMN2CYP2C9MEN1KMT2A
SCHEMBL10014678 0.81 TEAD4 (0.42) HTTSMN1; SMN2GAACYP2C9MEN1
SCHEMBL22724721 0.81 PAX8 (0.56) PAX8HTTSMN1; SMN2GAACYP2C9
SCHEMBL22724723 0.81 PAX8 (0.56) PAX8HTTSMN1; SMN2GAACYP2C9
SCHEMBL13985233 0.80 TEAD4 (0.45) HTTSMN1; SMN2GAACYP2C9MEN1
SCHEMBL13870126 0.74 TEAD4 (0.48) HTTSMN1; SMN2GAACYP2C9MEN1
SCHEMBL9325864 0.74 ALDH1A1 (0.65) PAX8HTTSMN1; SMN2GAACYP2C9
SCHEMBL24262518 0.72 KMT2A (0.61) PAX8SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15849080 0.71 TEAD4 (0.37) HTTSMN1; SMN2GAACYP2C9MEN1

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
EP-3858909-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-08-04 EP disclosed