SCHEMBL10403268

SCHEMBL10403268

O=[C]C(CN1CCCC1)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL10403562 0.84 CHRNA7 (0.40) ALDH1A1RAB9ASMN1; SMN2HTTMITF
SCHEMBL10403269 0.74 ALDH1A1 (0.40) ALDH1A1RAB9ASMN1; SMN2HTTMITF
SCHEMBL946994 0.72 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTPAX8KDM4E
SCHEMBL7544052 0.71 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2HTTMITF
SCHEMBL10403564 0.71 CHRNA7 (0.40) ALDH1A1RAB9ASMN1; SMN2HTTMITF
SCHEMBL27937425 0.70 ALDH1A1 (0.49) ALDH1A1RAB9ASMN1; SMN2HTTMITF
SCHEMBL11594651 0.66 KDM4E (0.45) ALDH1A1KDM4ECYP2D6TSHRHIF1A
SCHEMBL17810249 0.65 ALDH1A1 (0.55) ALDH1A1RAB9ASMN1; SMN2HTTMITF
SCHEMBL9130301 0.65 ALDH1A1 (0.50) ALDH1A1RAB9ASMN1; SMN2HTTMITF
SCHEMBL30101423 0.64 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2HTTMITF

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
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