SCHEMBL7312308

SCHEMBL7312308

Cc1nn2cc(-c3ccc(OCCCCl)cc3)nc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.64
MAPT P10636 7/20 0.64
SMN1; SMN2 Q16637 7/20 0.62
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
NFKB1 P19838 2/20 0.62
NFKB2 Q00653 2/20 0.62
RELA Q04206 2/20 0.62
KDM4E B2RXH2 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALOX15 P16050 2/20 0.59
F2RL3 Q96RI0 8/20 0.51
PKM P14618 1/20 0.43
RECQL P46063 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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
Hydrochloric Acid SCHEMBL7320190 0.83 ATP4A (0.61) TP53MAPT
SCHEMBL7312305 0.78 TP53 (0.72) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL10878341 0.75 TP53 (1.00) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7312312 0.74 FYN (0.43) SMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL13186820 0.73 TP53 (0.74) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3831821 0.72 MEN1 (0.62) TP53MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5309504 0.72 SMN1; SMN2 (0.72) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7318618 0.72 SMN1; SMN2 (0.65) TP53MAPTSMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL7320185 0.72 TP53 (0.61) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL7326102 0.71 RARB (0.56) TP53MAPTCA12CA1CA2

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-4880824-A CARDIOVASCULAR DISORDERS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-11-14 US disclosed