SCHEMBL25855377

SCHEMBL25855377

C=CCOC(=O)Nc1ccc(CC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 4/20 0.48
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SRC P12931 1/20 0.47
FAAH O00519 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46

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
SCHEMBL14349999 0.88 TUBB4A (0.49) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL2464156 0.86 MEN1 (0.49) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL19614838 0.84 MEN1 (0.48) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL2465134 0.84 MEN1 (0.51) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL7116824 0.84 TGM2 (0.54) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL24341135 0.84 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2NPC1MAPTMEN1
SCHEMBL9435780 0.84 RAB9A (0.59) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL8867866 0.83 MEN1 (0.47) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL8589506 0.83 MEN1 (0.47) RAB9ASMN1; SMN2NPC1MAPTPOLB
SCHEMBL8867871 0.83 MEN1 (0.47) RAB9ASMN1; SMN2NPC1MAPTPOLB

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
EP-3458069-B1 PYRROLOBENZODIAZEPINES AND CONJUGATES THEREOF MERSANA THERAPEUTICS INC (US) 2023-07-05 EP disclosed