SCHEMBL20843171

SCHEMBL20843171

CCC1CCN(Cc2ccc(SC)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ ATM Q13315 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ GAA P10253 1/20 0.53
▸ SIGMAR1 Q99720 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ PKM P14618 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.47
▸ ADRB2 P07550 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ NR2F2 P24468 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL20843270 0.86 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EATMMEN1KMT2A
SCHEMBL21604394 0.81 ALDH1A1 (0.62) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL21820699 0.81 ALDH1A1 (0.64) KDM4EMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL3156587 0.80 LMNA (0.59) SIGMAR1ALDH1A1LMNAHRH3
SCHEMBL25856039 0.80 HRH3 (0.50) MEN1KMT2AALDH1A1RAB9AHRH3
SCHEMBL2735346 0.80 CCR3 (0.71) KDM4EATMGAASIGMAR1ALDH1A1
SCHEMBL20843121 0.78 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EATMMEN1KMT2A
SCHEMBL13293323 0.78 HRH3 (0.69) SMN1; SMN2KDM4EATMMEN1KMT2A
SCHEMBL24307299 0.77 NCF1 (0.65) MEN1KMT2AALDH1A1HRH3
SCHEMBL25531006 0.77 TEAD1 (0.52) MEN1KMT2ASIGMAR1ALDH1A1LMNA

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-3250552-B1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2019-03-27 — — EP disclosed
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