SCHEMBL9377652

SCHEMBL9377652

Cc1nn(CCCCBr)c(=O)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 3/20 0.52
RAB9A P51151 2/20 0.52
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.47
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL8132638 0.89 LMNA (0.59) LMNANPSR1RAB9APOLBSMN1; SMN2
SCHEMBL10123547 0.81 LMNA (0.60) LMNANPSR1RAB9APOLBSMN1; SMN2
SCHEMBL12877767 0.77 LMNA (0.64) LMNANPSR1RAB9APOLBSMN1; SMN2
Bromide SCHEMBL9690249 0.76 RAB9A (0.59) LMNANPSR1RAB9APOLBSMN1; SMN2
SCHEMBL24000166 0.73 ALDH1A1 (0.65) LMNANPSR1RAB9ASMN1; SMN2KMT2A
SCHEMBL10109757 0.73 LMNA (0.59) LMNANPSR1RAB9APOLBSMN1; SMN2
SCHEMBL6885992 0.73 LMNA (0.77) LMNANPSR1RAB9APOLBSMN1; SMN2
SCHEMBL12862543 0.73 LMNA (0.59) LMNANPSR1RAB9APOLBSMN1; SMN2
SCHEMBL8598953 0.73 NPC1 (0.58) LMNARAB9APOLBSMN1; SMN2KMT2A
SCHEMBL12301768 0.72 LMNA (0.75) LMNANPSR1RAB9APOLBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed