SCHEMBL10600924

SCHEMBL10600924

CSc1ccc(CN2CCN(CCO)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ ATM Q13315 3/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ HPGD P15428 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ RAB9A P51151 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ NR2F2 P24468 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ GAA P10253 2/20 0.52
▸ TP53 P04637 1/20 0.52

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
SCHEMBL10601850 0.85 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1ATMKDM4EHPGD
SCHEMBL10604885 0.83 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1ATMKDM4EHPGD
SCHEMBL24514293 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1ATMKDM4EHPGD
SCHEMBL16122104 0.81 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1ATMHPGDMEN1
SCHEMBL12504054 0.81 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1ATMKDM4EHPGD
SCHEMBL17830792 0.81 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1ATMKDM4EHPGD
SCHEMBL25967979 0.81 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1ATMKDM4EHPGD
SCHEMBL13293323 0.79 HRH3 (0.69) SMN1; SMN2ALDH1A1ATMKDM4EMEN1
SCHEMBL3979002 0.79 SIGMAR1 (0.63) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL25565610 0.78 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0182349-B1 BIS(ARYLPIPERAZINYL)SULFUR COMPOUNDS Boehringer Ingelheim Pharmaceuticals Inc. (US) 1989-04-26 — — EP disclosed
US-4692448-A ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1987-09-08 — — US disclosed
EP-0182349-A1 Bis(arylpiperazinyl)sulfur compounds Boehringer Ingelheim Pharmaceuticals Inc. (US) 1986-05-28 — — EP disclosed
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