SCHEMBL11035978

SCHEMBL11035978

NCC=CSCc1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.37
▸ HPGD P15428 4/20 0.37
▸ MAPT P10636 3/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL3505825 0.73 — —
SCHEMBL7771315 0.73 — —
SCHEMBL10946107 0.73 ALDH1A1 (0.38) ALDH1A1HPGDMAPTTSHRTDP1
SCHEMBL31540416 0.73 ALDH1A1 (0.40) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL3678577 0.70 — —
SCHEMBL891217 0.69 TSHR (0.46) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL140950 0.69 TSHR (0.59) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL705421 0.68 ALDH1A1 (0.53) ALDH1A1HPGDMAPTNPC1RAB9A
SCHEMBL29143556 0.68 KMT2A (0.44) ALDH1A1MAPTTSHRTDP1POLB
Water SCHEMBL27837138 0.68 TSHR (0.44) ALDH1A1HPGDMAPTNPC1RAB9A

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-4539416-A Processes for making thioalkyl carboxamides and amines THE DOW CHEMICAL COMPANY (US) 1985-09-03 — — US claimed
US-4539416-A Processes for making thioalkyl carboxamides and amines THE DOW CHEMICAL COMPANY (US) 1985-09-03 — — US disclosed
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