SCHEMBL3660832

SCHEMBL3660832

N[C@H]1COCC[C@H]1c1ccc(-c2ccccc2)cc1.O=C(O)[C@H]1COCC[C@H]1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.45
MAOB P27338 1/20 0.45
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
FFAR1 O14842 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
LMNA P02545 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TAAR1 Q96RJ0 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
SCHEMBL3660838 1.00 KDM1A (0.45) KDM1AMAOBRAB9ANPC1SLC6A2
SCHEMBL3184354 0.92 SLC6A2 (0.48) KDM1AMAOBRAB9ANPC1SLC6A2
SCHEMBL3184339 0.92 SLC6A2 (0.48) KDM1AMAOBRAB9ANPC1SLC6A2
SCHEMBL3184345 0.92 SLC6A2 (0.48) KDM1AMAOBRAB9ANPC1SLC6A2
SCHEMBL3195739 0.88 KDM1A (0.58) KDM1AMAOBSLC6A2LMNAHDAC6
SCHEMBL3197346 0.88 KDM1A (0.58) KDM1AMAOBSLC6A2LMNAHDAC6
SCHEMBL3197364 0.88 KDM1A (0.58) KDM1AMAOBSLC6A2LMNAHDAC6
SCHEMBL3195721 0.88 KDM1A (0.58) KDM1AMAOBSLC6A2LMNAHDAC6
SCHEMBL3195727 0.88 KDM1A (0.58) KDM1AMAOBSLC6A2LMNAHDAC6
SCHEMBL3185240 0.81 RAB9A (0.46) KDM1AMAOBRAB9ANPC1SLC6A2

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-2142505-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer, Inc. (US) 2010-01-13 EP disclosed
WO-2008120093-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2008-10-09 WO disclosed