SCHEMBL10604885

SCHEMBL10604885

CSc1ccc(CN2CCN(CCSSCCN3CCN(Cc4ccc(SC)cc4)CC3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.57
▸ KDM4E B2RXH2 5/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ ATM Q13315 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ MAPT P10636 5/20 0.51
▸ MAPK1 P28482 4/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ NR2F2 P24468 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ POLB P06746 1/20 0.47
▸ NPSR1 Q6W5P4 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
SCHEMBL10601850 0.85 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EKMT2AATMMEN1
SCHEMBL10600924 0.83 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EKMT2AATMMEN1
SCHEMBL10600467 0.83 LMNA (0.62) KMT2AATMMEN1MAPK1LMNA
SCHEMBL24514293 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EKMT2AATMMEN1
Hydrochloric Acid SCHEMBL10602731 0.81 LMNA (0.61) KMT2AATMMEN1MAPK1LMNA
SCHEMBL17830792 0.81 SMN1; SMN2 (0.71) SMN1; SMN2KDM4EKMT2AATMMEN1
SCHEMBL25967979 0.81 ALDH1A1 (0.65) SMN1; SMN2KDM4EKMT2AATMMEN1
SCHEMBL10599091 0.81 SIGMAR1 (0.61) KDM4EKMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL10600480 0.79 SIGMAR1 (0.59) KDM4EKMT2AMEN1MAPTALDH1A1
SCHEMBL10601869 0.79 ALDH1A1 (0.56) KDM4EMAPTMAPK1LMNANPC1

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 4 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 claimed
US-4692448-A ANTIALLERGENS AND ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1987-09-08 — — US claimed
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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