SCHEMBL7902307

SCHEMBL7902307

CSc1nc(N)n(-c2nnc(-c3ccc(OCCCNC(C)C(C)(C)C)cc3)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
NPC1 O15118 4/20 0.38
KDM4E B2RXH2 3/20 0.38
XIAP P98170 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 2/20 0.32
NR1H4 Q96RI1 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7902644 0.86 HTR1B (0.31) KDM4EHSD17B10ALDH1A1
SCHEMBL7896418 0.82 RAB9A (0.46) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL7905953 0.80 RAB9A (0.45) RAB9AMAPTLMNASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL7908541 0.79 RAB9A (0.44) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL7896538 0.79 RAB9A (0.43) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL7896449 0.78 HTT (0.45) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL7908490 0.77 FLT3 (0.42) RAB9AMAPTLMNANPC1ALDH1A1
Hydrochloric Acid SCHEMBL7904720 0.76 RAB9A (0.36) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL7905792 0.74 NPC1 (0.49) RAB9AMAPTLMNASMN1; SMN2NPC1
SCHEMBL7896414 0.74 HRH3 (0.39) RAB9AMAPTLMNASMN1; SMN2NPC1

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