SCHEMBL8628659

SCHEMBL8628659

CN1C(=O)N(C(=O)Nc2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GRIN2B Q13224 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NAPRT Q6XQN6 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL5963648 0.76 TP53 (0.44) TSHRNPC1TP53RAB9ASMN1; SMN2
SCHEMBL2733147 0.75 TSHR (0.65) TSHRMEN1KMT2ATP53SMN1; SMN2
SCHEMBL2733150 0.75 TSHR (0.65) TSHRMEN1KMT2ATP53SMN1; SMN2
SCHEMBL8821125 0.75 KMT2A (0.47) TSHRMEN1KMT2ANPC1TP53
SCHEMBL8854135 0.72 POLB (0.48) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL8854131 0.72 POLB (0.48) TSHRMEN1KMT2ANPC1RAB9A
SCHEMBL13302556 0.69 NAPRT (0.44) TSHRNPC1TP53RAB9ASMN1; SMN2
SCHEMBL463912 0.68 TSHR (0.56) TSHRMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL6495106 0.67 TSHR (0.45) TSHRMEN1KMT2ANPC1RAB9A
Dimethylamine SCHEMBL8847032 0.67 TDP1 (0.77) TSHRNPC1TP53RAB9ASMN1; SMN2

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
JP-10291980-A None JP disclosed
JP-H10291980-A OPTICALLY ACTIVE 4,5-DIPHENYL-2-IMIDAZOLIDINONE DERIVATIVE AND PRODUCTION OF OPTICALLY ACTIVE ALPHA-AMINOPHOSPHORIC ACID WITH THE SAME SHIRATORI SEIYAKU KK 1998-11-04 JP disclosed