SCHEMBL7904676

SCHEMBL7904676

Nc1nc(SCc2ccccc2)nn1-c1nnc(-c2ccccc2OCCCBr)s1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALOX15 P16050 2/20 0.33
NPC1 O15118 4/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
EGFR P00533 1/20 0.32
CXCR2 P25025 1/20 0.32
PAK4 O96013 1/20 0.31
HSP90AA1 P07900 1/20 0.31
METAP2 P50579 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL7908461 0.89 HRH1 (0.37) HPGDTSHRHSD17B10KDM4EALDH1A1
SCHEMBL7903985 0.87 KDM4E (0.34) RAB9ASMN1; SMN2HPGDTSHRHSD17B10
SCHEMBL7902622 0.87 KDM4E (0.36) RAB9ANPC1HPGDTSHRHSD17B10
SCHEMBL7904717 0.86 MAOB (0.33) KDM4EALDH1A1
SCHEMBL7896519 0.86 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL7902606 0.82 KDM4E (0.36) RAB9ANPC1HPGDTSHRHSD17B10
SCHEMBL7902631 0.81 RAB9A (0.38) RAB9ASMN1; SMN2ALOX15NPC1HPGD
SCHEMBL7905809 0.79 KDM4E (0.36) HPGDTSHRHSD17B10KDM4EALDH1A1
SCHEMBL7905780 0.77 HRH3 (0.40) HPGDTSHRHSD17B10KDM4EALDH1A1
SCHEMBL7903964 0.77 HTR1B (0.34) SMN1; SMN2HSD17B10KDM4EALDH1A1

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
US-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed