SCHEMBL24378467

SCHEMBL24378467

COc1cccc(-n2ccc(C)n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
MAPT P10636 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 2/20 0.49
ATM Q13315 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ACHE P22303 1/20 0.46
CYP1A2 P05177 1/20 0.45
MGLL Q99685 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ABCB11 O95342 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ADORA3 P0DMS8 2/20 0.43

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
SCHEMBL14412226 0.85 RAB9A (0.59) NOTUMMAPTRAB9ANPC1ATM
SCHEMBL16202076 0.83 MAPT (0.46) NOTUMMAPTRAB9ANPC1ATM
SCHEMBL28020284 0.83 NOTUM (0.57) NOTUMMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL17883765 0.81 NOTUM (0.55) NOTUMMAPTNPC1ACHECYP1A2
SCHEMBL30264186 0.81 NOTUM (0.55) NOTUMMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL15352892 0.81 NOTUM (0.55) NOTUMMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL27636269 0.81 NOTUM (0.55) NOTUMMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL28504786 0.81 NOTUM (0.51) NOTUMMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL598042 0.80 HTT (0.53) MAPTRAB9ANPC1ATMSMN1; SMN2
SCHEMBL5101204 0.80 MEN1 (0.56) MAPTRAB9ANPC1ATMSMN1; SMN2

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-2022086993-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC (US) 2022-04-28 WO disclosed