SCHEMBL21765495

SCHEMBL21765495

CCCc1cc2ncc(C(C)C)cn2n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
BRAF P15056 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
SCHEMBL25097484 0.88 HDAC6 (0.35) KDM4EHDAC6LMNANPC1RAB9A
SCHEMBL13086734 0.77 NPC1 (0.36) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL26859104 0.76 SMN1; SMN2 (0.53) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL24869559 0.74 NPC1 (0.39) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL24967875 0.74 NPC1 (0.34) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL18611835 0.70 BRAF (0.36) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL12243808 0.66 ESR1 (0.40) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL25680997 0.66 RAB9A (0.41) KDM4EHDAC6LMNANPC1RAB9A
SCHEMBL23571997 0.65 LMNA (0.32) KDM4ELMNANPC1RAB9ASMN1; SMN2
SCHEMBL13086441 0.64 DGAT1 (0.31)

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
WO-2020041301-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-02-27 WO disclosed