SCHEMBL8157997

SCHEMBL8157997

O=C(Nc1nncs1)c1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
AQP4 P55087 1/20 0.57
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
DEGS1 O15121 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51

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
SCHEMBL9963857 0.94 KDM4E (0.61) RAB9ANPC1MEN1KMT2AAQP4
SCHEMBL3379803 0.82 AQP4 (0.70) RAB9ANPC1MEN1KMT2AAQP4
SCHEMBL14328939 0.79 TSHR (0.60) RAB9ANPC1MEN1KMT2AAQP4
SCHEMBL5407305 0.78 NR3C1 (0.55) RAB9ANPC1AQP4KDM4E
SCHEMBL7348856 0.77 LMNA (0.62) RAB9ANPC1MEN1KMT2AAQP4
SCHEMBL8554147 0.77 LMNA (0.65) RAB9ANPC1MEN1KMT2AAQP4
SCHEMBL6799313 0.75 RAB9A (0.60) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL14807588 0.73 TOP1 (0.74) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL5971771 0.73 KMT2A (0.65) NPC1MEN1KMT2ALMNAALDH1A1
SCHEMBL23417709 0.72 KDM4E (0.54) RAB9ANPC1MEN1KMT2AAQP4

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
US-6063800-A Modulators of molecules with phosphotyrosine recognition units NOVO NORDISK A/S (DK) 2000-05-16 US disclosed
US-5958957-A PROTEIN TYROSINE PHOSPHATASES, PROTEINS WITH SRC-MONOLOGY 2-DOMAINS; ANTICARCINOGENIC,-TUMOR AND DIABETIC AGENTS; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; MEDICAL DIAGNOSIS NOVO NORDISK A/S (DK) 1999-09-28 US disclosed